Cyclohexane-1,2-diamine
fo-890a41d2c4f2b27a
Identity
- Type
- Neutral molecule
- CAS
- 694-83-7
- EC
- 211-776-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
3- 1,2-Cyclohexanediamine
- 1,2-Diaminocyclohexane
- Dytek DCH 99
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | SSJXIUAHEKJCMH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2 |
| IUPAC name chemrof:IUPAC_name | Cyclohexane-1,2-diamine |
| Molecular formula chemrof:molecular_formula | C6H14N2 |
| Molecular mass chemrof:molecular_mass | 114.192 |
| Monoisotopic mass chemrof:monoisotopic_mass | 114.115698 |
| SMILES string chemrof:smiles_string | NC1CCCCC1N |
Known URLs
13Where 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 |
|---|---|---|---|---|
| 86f26d49-3d74-4fa4-9f45-9346b20ca1b8 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 963d8978-715c-4325-8d06-dacd12d544e4 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 386f7d9d-a81c-4b9d-9cf7-1fad218c7164 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| b10cb24b-16c8-4e86-9380-2b73f667f77c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c72a9938-d308-4130-b41c-108226e9b826 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 9d3dc4d1-9da6-4026-88cf-7745af01e340 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 5e945471-9d6f-4048-bd58-ef30c108a936 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| b1a73771-f62a-4aad-9b3d-16d00d37f97c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| b7c23730-6f0d-446e-8d99-821e865d014a | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 67d7e37e-7865-4e45-ac5d-1c6da90a0488 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e5d9cd28-2675-4e7f-90d5-3bc55c971856 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 9d64767b-c3ba-4bb7-891f-2f980e46449b | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 4d7b7fd1-5b9e-45bc-9c1e-7ac85d2c809a | 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-890a41d2c4f2b27a",
"prefLabel": [
{
"@value": "Cyclohexane-1,2-diamine",
"@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": "1,2-Cyclohexanediamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:694-83-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=694-83-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,2-Diaminocyclohexane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:694-83-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=694-83-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dytek DCH 99",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:694-83-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=694-83-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H14N2"
],
"attested_by": {
"C6H14N2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4610"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NC1CCCCC1N"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"SSJXIUAHEKJCMH-UHFFFAOYSA-N"
],
"attested_by": {
"SSJXIUAHEKJCMH-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4610"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NC1CCCCC1N"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"NC1CCCCC1N"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cyclohexane-1,2-diamine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NC1CCCCC1N"
]
}
],
"attested_by": {
"NC1CCCCC1N": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cyclohexane-1,2-diamine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NC1CCCCC1N"
]
}
],
"attested_by": {
"InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Cyclohexane-1,2-diamine"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cyclohexane-1,2-diamine"
]
},
"attested_by": {
"Cyclohexane-1,2-diamine": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
114.192
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1CCC(C(C1)N)N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NC1CCCCC1N"
]
}
],
"attested_by": {
"114.192": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
114.115698
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1CCC(C(C1)N)N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NC1CCCCC1N"
]
}
],
"attested_by": {
"114.115698": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.937J",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4610;CAS:694-83-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[694-83-7]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.010.707",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4610;CAS:694-83-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[694-83-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=694-83-7",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"694-83-7"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID0027301",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4610;CAS:694-83-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[694-83-7]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=362640",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4610;CAS:694-83-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[694-83-7]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=362641",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4610;CAS:694-83-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[694-83-7]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/1,2-Diaminocyclohexane",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4610;CAS:694-83-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[694-83-7]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0243564",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4610;CAS:694-83-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[694-83-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/4610",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4610;CAS:694-83-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[694-83-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2735",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4610;CAS:694-83-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[694-83-7]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:93778",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4610;CAS:694-83-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[694-83-7]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1356279",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4610;CAS:694-83-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[694-83-7]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27165475",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:4610;CAS:694-83-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[694-83-7]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "386f7d9d-a81c-4b9d-9cf7-1fad218c7164",
"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": [
"694-83-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=694-83-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=694-83-7"
}
],
"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": [
"211-776-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=211-776-7"
],
"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"
]
}