Reaction Mass Of N,n-diethylpropane-1,3-diamine 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate And 2,2-iminodiethanol 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate And 2-methylaminoethanol 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate
cf830c90-2b80-4b83-8b51-d8db3ea15fa6
Identity
- Substance
- fo-f6fffcf386895b24 Molecular complex
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Ground → Agricultural
- CAS
- 114565-65-0
- EC
- 403-410-1
Context
- Dimension
- Environmental
- Geography
- Agricultural
- Media
- Ground
Alternative labels
4- 1,3-Propanediamine, N,N-diethyl-, compd. with 2,2′-iminobis[ethanol] and 2-(methylamino)ethanol 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-7-benzothiazolesulfonate (salt)
- 7-Benzothiazolesulfonic acid, 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-, compd. with N,N-diethyl-1,3-propanediamine and 2,2′-iminobis[ethanol] and 2-(methylamino)ethanol
- Ethanol, 2,2′-iminobis-, compd. with N,N-diethyl-1,3-propanediamine and 2-(methylamino)ethanol 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-7-benzothiazolesulfonate (salt)
- Ethanol, 2-(methylamino)-, compd. with N,N-diethyl-1,3-propanediamine and 2,2′-iminobis[ethanol] 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-7-benzothiazolesulfonate
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | cf830c90-2b80-4b83-8b51-d8db3ea15fa6 | reaction mass of n,n-diethylpropane-1,3-diamine 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate and 2,2-iminodiethanol 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate and 2-methylaminoethanol 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | cf830c90-2b80-4b83-8b51-d8db3ea15fa6 | reaction mass of n,n-diethylpropane-1,3-diamine 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate and 2,2-iminodiethanol 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate and 2-methylaminoethanol 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate | Emissions/Emissions to soil/Emissions to agricultural soil | exactMatch | — |
Characterisation factors
4- consensus-flow-list 2
- European Commission — JRC 2
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 2.2103e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 2.2103e-07 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 2.2103e-07 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 2.2103e-07 | sole |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"altLabel": [
{
"@value": "1,3-Propanediamine, N,N-diethyl-, compd. with 2,2′-iminobis[ethanol] and 2-(methylamino)ethanol 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-7-benzothiazolesulfonate (salt)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:114565-65-0",
"https://commonchemistry.cas.org/detail?cas_rn=114565-65-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "7-Benzothiazolesulfonic acid, 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-, compd. with N,N-diethyl-1,3-propanediamine and 2,2′-iminobis[ethanol] and 2-(methylamino)ethanol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:114565-65-0",
"https://commonchemistry.cas.org/detail?cas_rn=114565-65-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethanol, 2,2′-iminobis-, compd. with N,N-diethyl-1,3-propanediamine and 2-(methylamino)ethanol 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-7-benzothiazolesulfonate (salt)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:114565-65-0",
"https://commonchemistry.cas.org/detail?cas_rn=114565-65-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethanol, 2-(methylamino)-, compd. with N,N-diethyl-1,3-propanediamine and 2,2′-iminobis[ethanol] 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-7-benzothiazolesulfonate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:114565-65-0",
"https://commonchemistry.cas.org/detail?cas_rn=114565-65-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"7-Benzothiazolesulfonic acid, 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-, compd. with N,N-diethyl-1,3-propanediamine and 2,2′-iminobis[ethanol] and 2-(methylamino)ethanol"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"7-Benzothiazolesulfonic acid, 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-, compd. with N,N-diethyl-1,3-propanediamine and 2,2′-iminobis[ethanol] and 2-(methylamino)ethanol"
]
},
"attested_by": {
"7-Benzothiazolesulfonic acid, 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-, compd. with N,N-diethyl-1,3-propanediamine and 2,2′-iminobis[ethanol] and 2-(methylamino)ethanol": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCN(CC)CCCN.CNCCO.Cc1ccc2nc(-c3ccc(N=Nc4c(N)nc(N)nc4N)cc3)sc2c1S(=O)(=O)O.OCCNCCO"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"7-Benzothiazolesulfonic acid, 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-, compd. with N,N-diethyl-1,3-propanediamine and 2,2′-iminobis[ethanol] and 2-(methylamino)ethanol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(CC)CCCN.CNCCO.Cc1ccc2nc(-c3ccc(N=Nc4c(N)nc(N)nc4N)cc3)sc2c1S(=O)(=O)O.OCCNCCO"
]
}
],
"attested_by": {
"CCN(CC)CCCN.CNCCO.Cc1ccc2nc(-c3ccc(N=Nc4c(N)nc(N)nc4N)cc3)sc2c1S(=O)(=O)O.OCCNCCO": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C18H16N8O3S2.C7H18N2.C4H11NO2.C3H9NO/c1-8-2-7-11-13(14(8)31(27,28)29)30-17(22-11)9-3-5-10(6-4-9)25-26-12-15(19)23-18(21)24-16(12)20;1-3-9(4-2)7-5-6-8;6-3-1-5-2-4-7;1-4-2-3-5/h2-7H,1H3,(H,27,28,29)(H6,19,20,21,23,24);3-8H2,1-2H3;5-7H,1-4H2;4-5H,2-3H2,1H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"7-Benzothiazolesulfonic acid, 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-, compd. with N,N-diethyl-1,3-propanediamine and 2,2′-iminobis[ethanol] and 2-(methylamino)ethanol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(CC)CCCN.CNCCO.Cc1ccc2nc(-c3ccc(N=Nc4c(N)nc(N)nc4N)cc3)sc2c1S(=O)(=O)O.OCCNCCO"
]
}
],
"attested_by": {
"InChI=1S/C18H16N8O3S2.C7H18N2.C4H11NO2.C3H9NO/c1-8-2-7-11-13(14(8)31(27,28)29)30-17(22-11)9-3-5-10(6-4-9)25-26-12-15(19)23-18(21)24-16(12)20;1-3-9(4-2)7-5-6-8;6-3-1-5-2-4-7;1-4-2-3-5/h2-7H,1H3,(H,27,28,29)(H6,19,20,21,23,24);3-8H2,1-2H3;5-7H,1-4H2;4-5H,2-3H2,1H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"rdfs:label": "InChIKey",
"@value": [
"CTQCNKZMYYSKOK-UHFFFAOYSA-N"
],
"provenance": {
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(CC)CCCN.CNCCO.Cc1ccc2nc(-c3ccc(N=Nc4c(N)nc(N)nc4N)cc3)sc2c1S(=O)(=O)O.OCCNCCO"
]
},
"attested_by": {
"CTQCNKZMYYSKOK-UHFFFAOYSA-N": [
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"rdfs:label": "Molecular formula",
"@value": [
"C32H54N12O6S2"
],
"provenance": {
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(CC)CCCN.CNCCO.Cc1ccc2nc(-c3ccc(N=Nc4c(N)nc(N)nc4N)cc3)sc2c1S(=O)(=O)O.OCCNCCO"
]
},
"attested_by": {
"C32H54N12O6S2": [
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
766.996
],
"provenance": {
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(CC)CCCN.CNCCO.Cc1ccc2nc(-c3ccc(N=Nc4c(N)nc(N)nc4N)cc3)sc2c1S(=O)(=O)O.OCCNCCO"
]
},
"attested_by": {
"766.996": [
"rdkit_post_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": [
766.373069
],
"provenance": {
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCN(CC)CCCN.CNCCO.Cc1ccc2nc(-c3ccc(N=Nc4c(N)nc(N)nc4N)cc3)sc2c1S(=O)(=O)O.OCCNCCO"
]
},
"attested_by": {
"766.373069": [
"rdkit_post_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=114565-65-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"114565-65-0"
],
"prov:wasDerivedFrom": "cas_numbers"
}
}
],
"prefLabel": [
{
"@value": "Reaction Mass Of N,n-diethylpropane-1,3-diamine 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate And 2,2-iminodiethanol 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate And 2-methylaminoethanol 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/MolecularComplex"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "cf830c90-2b80-4b83-8b51-d8db3ea15fa6",
"identifier": "cf830c90-2b80-4b83-8b51-d8db3ea15fa6",
"source": "EF 3.1",
"cas_numbers": [
"114565-65-0"
],
"ec_numbers": [
"403-410-1"
],
"context": {
"dimension": "Environmental",
"media": "Ground",
"geography": "Agricultural"
},
"synonyms": [],
"lcia_methods": [
{
"method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
"name": "Human toxicity, non-cancer",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 2.2103e-7
},
{
"method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
"name": "Human toxicity, non-cancer_organics",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 2.2103e-7
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-f6fffcf386895b24",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/cf830c90-2b80-4b83-8b51-d8db3ea15fa6",
"skos:prefLabel": "reaction mass of n,n-diethylpropane-1,3-diamine 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate and 2,2-iminodiethanol 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate and 2-methylaminoethanol 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate",
"context": "Emissions/Emissions to soil/Emissions to agricultural soil",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/cf830c90-2b80-4b83-8b51-d8db3ea15fa6"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/cf830c90-2b80-4b83-8b51-d8db3ea15fa6"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
}
],
"_sources": {
"prefLabel": "normalize_name_case",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "dedupe_altlabels",
"cas_match_labels": "consensus_match",
"properties": "normalise_property_values",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"114565-65-0": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "reaction mass of n,n-diethylpropane-1,3-diamine 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate and 2,2-iminodiethanol 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate and 2-methylaminoethanol 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate",
"synonyms": [
"organic",
"amixtureof:n,n-diethylpropane-1,3-diamine6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate",
"2,2-iminodiethanol6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate",
"2-methylaminoethanol6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate",
"reactionmassof2,2-iminodiethanol6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonateand2-methylaminoethanol6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonateandn,n-diethylpropane-1,3-diamine6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate"
],
"context": [
"Emissions",
"Emissions to soil",
"Emissions to agricultural soil"
],
"cas_numbers": [
"114565-65-0"
],
"ec_numbers": [
"403-410-1"
],
"unit": "kg"
}
}