3-(1h-imidazol-1-yl)propan-1-amine
fo-e4e8a105a31b168f
Identity
- Type
- Neutral molecule
- CAS
- 5036-48-6
- EC
- 225-730-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
18- 1-(3-Aminopropanyl)imidazole
- 1-(3-Aminopropyl)-1H-imidazole
- 1-(3-Aminopropyl)imidazole
- 1-(3′-Aminopropyl)imidazole
- 1H-Imidazole-1-propanamine
- 3-(1-Imidazolyl)propylamine
- 3-(1H-1-Imidazolyl)-1-propanamine
- 3-(1H-Imidazol-1-yl)-1-propylamine
- 3-(1H-Imidazol-1-yl)propanamine
- 3-(1H-Imidazol-1-yl)propylamine
- 3-(Imidazol-1-yl)propylamine
- 3-Aminopropylimidazole
- 3-Imidazol-1-ylpropan-1-amine
- Imidazole, 1-(3-aminopropyl)-
- Lupragen API
- N-(3-Aminopropyl)imidazole
- N-[3-(1H-Imidazol-1-yl)propyl]amine
- PC CAT API
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KDHWOCLBMVSZPG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2 |
| IUPAC name chemrof:IUPAC_name | 3-(1h-imidazol-1-yl)propan-1-amine |
| Molecular formula chemrof:molecular_formula | C6H11N3 |
| Molecular mass chemrof:molecular_mass | 125.175 |
| Monoisotopic mass chemrof:monoisotopic_mass | 125.095297 |
| SMILES string chemrof:smiles_string | NCCCn1ccnc1 |
Known URLs
10Where 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.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=5036-48-6 | enrich_references.consensus_cas_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:194835 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.023.392 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7063685 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3984871 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QN37N4JU4V | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J203.264C | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/78736 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=398398 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q72441287 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 01a68689-edf9-4659-baef-47dc1b4eaaf1 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 908faaf8-a8d3-4690-9a5a-b51f33323cb8 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| a9dd04f5-58fe-4651-8ec6-48721b14e03f | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| e7d30b5d-f854-48be-8613-7fce66b08a65 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b91864d3-e2e8-493f-9b1f-5199eabe245e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 42840007-1bb2-4042-86cc-ff582967875a | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 2b4aa380-e375-4d72-b904-ae98ac88c7f2 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 3a63973a-7eff-4c47-b8ba-21acdc794153 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| a6d0a692-2012-4a3c-a1e3-5444a069769e | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| bc21caaa-6d96-4217-b35f-2845600a37ca | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 636a06be-4c3f-4a89-86b6-dd9b544ff6a1 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 83b724a1-c931-4830-8f69-b50b47c6ee03 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| fe3e0616-5cbf-4c4a-9a12-90a7a0e802e4 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-e4e8a105a31b168f",
"prefLabel": [
{
"@value": "3-(1h-imidazol-1-yl)propan-1-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-(3-Aminopropanyl)imidazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-(3-Aminopropyl)-1H-imidazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-(3-Aminopropyl)imidazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-(3′-Aminopropyl)imidazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1H-Imidazole-1-propanamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(1-Imidazolyl)propylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(1H-1-Imidazolyl)-1-propanamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(1H-Imidazol-1-yl)-1-propylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(1H-Imidazol-1-yl)propanamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(1H-Imidazol-1-yl)propylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-(Imidazol-1-yl)propylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Aminopropylimidazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Imidazol-1-ylpropan-1-amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Imidazole, 1-(3-aminopropyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Lupragen API",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(3-Aminopropyl)imidazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-[3-(1H-Imidazol-1-yl)propyl]amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "PC CAT API",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:5036-48-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H11N3"
],
"attested_by": {
"C6H11N3": [
"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:78736"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NCCCn1ccnc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"KDHWOCLBMVSZPG-UHFFFAOYSA-N"
],
"attested_by": {
"KDHWOCLBMVSZPG-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:78736"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NCCCn1ccnc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"NCCCn1ccnc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-(1h-imidazol-1-yl)propan-1-amine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NCCCn1ccnc1"
]
}
],
"attested_by": {
"NCCCn1ccnc1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-(1h-imidazol-1-yl)propan-1-amine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NCCCn1ccnc1"
]
}
],
"attested_by": {
"InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"3-(1h-imidazol-1-yl)propan-1-amine"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-(1h-imidazol-1-yl)propan-1-amine"
]
},
"attested_by": {
"3-(1h-imidazol-1-yl)propan-1-amine": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
125.175
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CN(C=N1)CCCN"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NCCCn1ccnc1"
]
}
],
"attested_by": {
"125.175": [
"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": [
125.095297
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CN(C=N1)CCCN"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"NCCCn1ccnc1"
]
}
],
"attested_by": {
"125.095297": [
"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=J203.264C",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:78736;CAS:5036-48-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5036-48-6]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.023.392",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:78736;CAS:5036-48-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5036-48-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=5036-48-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"5036-48-6"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID7063685",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:78736;CAS:5036-48-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5036-48-6]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QN37N4JU4V",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:78736;CAS:5036-48-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5036-48-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/78736",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:78736;CAS:5036-48-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[5036-48-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=398398",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:78736;CAS:5036-48-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5036-48-6]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:194835",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:78736;CAS:5036-48-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5036-48-6]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3984871",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:78736;CAS:5036-48-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5036-48-6]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q72441287",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:78736;CAS:5036-48-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[5036-48-6]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "01a68689-edf9-4659-baef-47dc1b4eaaf1",
"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": [
"5036-48-6"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=5036-48-6"
}
],
"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": [
"225-730-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=225-730-9"
],
"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"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works