Consensus flow list

Identity

Type
NeutralMolecule
CAS
62-53-3
EC
200-539-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Aniline

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PAYRUJLWNCNPSJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
IUPAC name chemrof:IUPAC_name Aniline
Molecular formula chemrof:molecular_formula C6H7N
Molecular mass chemrof:molecular_mass 93.129
Monoisotopic mass chemrof:monoisotopic_mass 93.057849, 93.05785
SMILES string chemrof:smiles_string Nc1ccccc1

Known URLs

38

Where 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=114464-18-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=125597-20-8 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=125597-21-9 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=136260-71-4 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=165260-61-7 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25233-30-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=62-53-3 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/BW657890.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17296 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.491 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.211.756 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0011 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020090 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB06728 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB06728 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL538 enrich_references.pubchem_identifier_url
gmelin gmelin:2796 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SIR7XX2F1K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0003012 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2921.41.10.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.349C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00292 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00292 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38235 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=ANILINE enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:ANL enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL538 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6115 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1547 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018971 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11304127 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17135213 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23821252 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3779628 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6205897 enrich_references.chebi_xrefs
reaxys reaxys:605631 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q186414 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Aniline enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
d86c88df-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
4d9a8790-3ddd-11dd-8e2a-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
3b7145aa-fecf-4351-84db-ae8ba8f70866 Environmental → Air → Indoor EF 3.1 kg 6
4d9a8790-3ddd-11dd-8e29-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8e2b-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
4d9a8790-3ddd-11dd-8e28-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
08a91e70-3ddc-11dd-9c18-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
08a91e70-3ddc-11dd-9bfa-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
08a91e70-3ddc-11dd-9c19-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
4d9a8790-3ddd-11dd-9af5-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9af7-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
ffc9ecf5db048e6f3da63e7c44474a237c38c739 Environmental → Water → River bafu algorithm addition kg 0
4d9a8790-3ddd-11dd-9af4-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
38542dd28e0d422b5d7c5bbd1d609732c8945380 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-9af6-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d7ff751711626051",
  "prefLabel": [
    {
      "@value": "Aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "aminobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Anyvim",
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    },
    {
      "@value": "Benzene, amino-",
      "@language": "en",
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    },
    {
      "@value": "Blue Oil",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "kyanol",
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      "provenance": {
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    },
    {
      "@value": "NCI 176889",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  "properties": {
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      },
      "rdfs:label": "Molecular formula",
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          "prov:hadPrimarySource": [
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      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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      "rdfs:label": "InChIKey",
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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      "attested_by": {
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