N-ethyl-n-isopropylpropan-2-amine
fo-aa121cbdfae1b9b1
Identity
- Type
- Neutral molecule
- CAS
- 7087-68-5
- EC
- 230-392-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
19- 1,1′-Dimethyltriethylamine
- 2-Propanamine, N-ethyl-N-(1-methylethyl)-
- Bis(1-methylethyl)ethylamine
- DIEA
- Diisopropylethylamine
- DIPEA
- Ethyl-N,N-diisopropylamine
- Ethylbis(propan-2-yl)amine
- Ethyldiisopropylamine
- Huenig's base
- Hunig's base
- Hunig's reagent
- N,N-Bis(1-methylethyl)-N-ethylamine
- N,N-Diisopropylethylamine
- N-Ethyl-N,N-diisopropylamine
- N-Ethyl-N-(1-methylethyl)-2-propanamine
- N-ethyl-N-propan-2-ylpropan-2-amine
- N-Ethyldiisopropylamine
- Triethylamine, 1,1′-dimethyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | JGFZNNIVVJXRND-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3 |
| IUPAC name chemrof:IUPAC_name | N-ethyl-N-propan-2-ylpropan-2-amine |
| Molecular formula chemrof:molecular_formula | C8H19N |
| Molecular mass chemrof:molecular_mass | 129.247 |
| Monoisotopic mass chemrof:monoisotopic_mass | 129.15175 |
| SMILES string chemrof:smiles_string | CCN(C(C)C)C(C)C |
Known URLs
12Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 33c6f4ab-bcce-4644-b075-b43c3745c99a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 3160278f-bcc1-4b2e-bdbf-8631227e1b71 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 9f4f3e7a-684d-4afd-9407-a222bab27526 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 88436882-287d-42dd-8674-c7aaefeb9588 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4245b972-65ba-4e2c-a050-24578a36af2b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 15630f53-5c6e-4a45-9867-288288a8e55d | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| c02f108a-f125-429c-8179-095f585c11eb | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 2937b6c7-b87c-4f95-9130-39beddab9d0d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 73d3fc0e-d2b4-46d6-b0a8-40305f468810 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 797735e4-6cd9-470a-9f15-eae7b53794cd | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 5fb62517-69b5-4439-ae8d-06d8687783ad | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 6568aa02-9d36-4dfe-a931-fd5fb0f7cc1d | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 2e17e4e1-6571-4b3a-8761-b308d858a13e | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-aa121cbdfae1b9b1",
"prefLabel": [
{
"@value": "N-ethyl-n-isopropylpropan-2-amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "1,1′-Dimethyltriethylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Propanamine, N-ethyl-N-(1-methylethyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(1-methylethyl)ethylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DIEA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diisopropylethylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DIPEA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethyl-N,N-diisopropylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethylbis(propan-2-yl)amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethyldiisopropylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Huenig's base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hunig's base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hunig's reagent",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Bis(1-methylethyl)-N-ethylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N-Diisopropylethylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-Ethyl-N,N-diisopropylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-Ethyl-N-(1-methylethyl)-2-propanamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-ethyl-N-propan-2-ylpropan-2-amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_193590"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "N-Ethyldiisopropylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Triethylamine, 1,1′-dimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7087-68-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C8H19N"
],
"attested_by": {
"C8H19N": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_193590"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:81531"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(C(C)C)C(C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCN(C(C)C)C(C)C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-ethyl-N-propan-2-ylpropan-2-amine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(C(C)C)C(C)C"
]
}
],
"attested_by": {
"CCN(C(C)C)C(C)C": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-ethyl-N-propan-2-ylpropan-2-amine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(C(C)C)C(C)C"
]
}
],
"attested_by": {
"InChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"JGFZNNIVVJXRND-UHFFFAOYSA-N"
],
"attested_by": {
"JGFZNNIVVJXRND-UHFFFAOYSA-N": [
"enrich_references.chebi_semantic",
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_193590"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:81531"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(C(C)C)C(C)C"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
129.247
],
"attested_by": {
"129.247": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_193590"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(C(C)C)C(C)C"
]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"@value": [
129.15175
],
"attested_by": {
"129.15175": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Monoisotopic mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_193590"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(C(C)C)C(C)C"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
"enrich_references.chebi_semantic"
]
},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_193590"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"N-ethyl-N-propan-2-ylpropan-2-amine"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"N-ethyl-N-propan-2-ylpropan-2-amine"
]
},
"attested_by": {
"N-ethyl-N-propan-2-ylpropan-2-amine": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J108.742H",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:81531;CAS:7087-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7087-68-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.027.629",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:81531;CAS:7087-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7087-68-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=7087-68-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_193590"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID8064561",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:81531;CAS:7087-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7087-68-5]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=147491",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:81531;CAS:7087-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7087-68-5]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/N,N-Diisopropylethylamine",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:81531;CAS:7087-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7087-68-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5SIQ15721L",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:81531;CAS:7087-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7087-68-5]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0247306",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:81531;CAS:7087-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7087-68-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/81531",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:81531;CAS:7087-68-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[7087-68-5]"
}
},
{
"@id": "https://www.chemspider.com/Chemical-Structure.73565.html",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_193590"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:193590",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_193590"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q306946",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:81531;CAS:7087-68-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[7087-68-5]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "15630f53-5c6e-4a45-9867-288288a8e55d",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"7087-68-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=7087-68-5"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"230-392-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=230-392-0"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}