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N-(4-aminophenyl)aniline

fo-3023bd99e1464c87

Identity

Type
Neutral molecule
CAS
101-54-2
EC
202-951-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for N-(4-aminophenyl)aniline

Alternative labels

36

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ATGUVEKSASEFFO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
IUPAC name chemrof:IUPAC_name N-(4-aminophenyl)aniline
Molecular formula chemrof:molecular_formula C12H12N2
Molecular mass chemrof:molecular_mass 184.242
Monoisotopic mass chemrof:monoisotopic_mass 184.100048, 184.10005
SMILES string chemrof:smiles_string Nc1ccc(Nc2ccccc2)cc1

Known URLs

22

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=101-54-2 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=89230-95-5 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59038 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.684 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1446 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7025895 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3401 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=37074 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL572203 enrich_references.pubchem_identifier_url
gmelin gmelin:241334 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/007X4XXS71 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246356 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.017G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=60364 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7564 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1673 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019170 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23973574 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9874021 enrich_references.chebi_xrefs
reaxys reaxys:908935 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q4533362 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Aminodiphenylamine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5323043a-bfc4-4b92-9c7b-12b818437f92 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
56accc71-6fea-4db1-b4dc-233a43080fc2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
02d33709-a7fa-4e1e-86a5-f700b6837e03 Environmental → Air → Indoor EF 3.1 kg 2
5bcd4b35-eb2b-46c5-968b-f5f741be0a93 Environmental → Air → Long-term EF 3.1 kg 0
81ee08c8-1454-41b9-afc9-8483a158c250 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ddc49e64-519c-4d75-a0be-97d87c3fce6f Environmental → Air → Unknown EF 3.1 kg 2
404a488c-3758-45c8-94e0-cefc72529264 Environmental → Ground → Agricultural EF 3.1 kg 2
281ff685-ebba-46ce-9afc-14569985ec9c Environmental → Ground → Non-agricultural EF 3.1 kg 2
baa1bf54-c182-4143-b2d6-6aac2448852d Environmental → Ground → Unknown EF 3.1 kg 2
26db8ea1-bde8-4f68-8d8c-5332e4d285e7 Environmental → Water → Long-term EF 3.1 kg 0
dfd94196-d692-4095-8602-f05a403a4267 Environmental → Water → Ocean EF 3.1 kg 2
96266aaa-64c0-4c0b-bcc4-b2415d4c3909 Environmental → Water → Surface water EF 3.1 kg 2
22c4ec05-982d-4d5f-b617-f8b7537630c6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-3023bd99e1464c87",
  "prefLabel": [
    {
      "@value": "N-(4-aminophenyl)aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(4-(Phenylamino)phenyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=101-54-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Benzenediamine, N-phenyl-",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=101-54-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Benzenediamine, N1-phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-N-Phenylbenzene-1,4-diamine",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(N-Phenylamino)aniline",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(Phenylamino)aniline",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Amino-N-phenylaniline",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Aminodiphenylamine",
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      }
    },
    {
      "@value": "4-Anilinoaniline",
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        ],
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      }
    },
    {
      "@value": "4-Anilinophenylamine",
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        ],
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      }
    },
    {
      "@value": "4ADPA",
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      }
    },
    {
      "@value": "Azoic Diazo Component 22",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Azosalt R",
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      "provenance": {
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      }
    },
    {
      "@value": "C.I. Developer 15",
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        ],
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      }
    },
    {
      "@value": "C.I. Oxidation Base 2",
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        ],
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      }
    },
    {
      "@value": "Diphenyl Black",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Luxan Black R",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N, 4'-Bianiline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,4′-Bianiline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=101-54-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-4'-Bianiline",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-Phenyl-1,4-benzenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_59038"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-Phenyl-1,4-phenylenediamine",
      "@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_59038"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-Phenyl-p-aminoaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_59038"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-Phenyl-p-phenylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_59038"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-phenylbenzene-1,4-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N1-Phenyl-1,4-benzenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:101-54-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=101-54-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-(Phenylamino)aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_59038"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-Aminodiphenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_59038"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-Anilinoaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_59038"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-Phenylenediamine, N-phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Semidine",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Peltol BR",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Peltol BR II",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=101-54-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Semidin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Semidine",
      "@language": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=101-54-2"
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Variamine Blue RT",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H12N2"
      ],
      "attested_by": {
        "C12H12N2": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
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