Consensus flow list

Identity

Type
NeutralMolecule
CAS
106-49-0
EC
203-403-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for P-toluidine

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RZXMPPFPUUCRFN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
IUPAC name chemrof:IUPAC_name 4-Aminotoluene
Molecular formula chemrof:molecular_formula C7H9N
Molecular mass chemrof:molecular_mass 107.156
Monoisotopic mass chemrof:monoisotopic_mass 107.073499, 107.0735
SMILES string chemrof:smiles_string Cc1ccc(N)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=106-49-0 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=76642-19-8 enrich_references.pubchem_identifier_url
cdc.gov https://www.cdc.gov/niosh-rtecs/XU3010B0.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37825 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.095 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0343 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021872 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15350 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL58521 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I1D0KL7I4U enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256058 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.612I enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55695 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/8Q6LXYWT3Q5Q enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7813 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1708 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3451 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018975 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24285397 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24428433 enrich_references.chebi_xrefs
reaxys reaxys:471281 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2043499 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
01a14394-027a-4e59-88af-68e1fc7736b4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7afbd804-73f5-4937-a948-29a45a72a3e1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
bc3e7b82-9dc4-4726-a8e9-a85062cff905 Environmental → Air → Indoor EF 3.1 kg 4
2b6629f3-9ad1-4614-9974-7b5b24ac312b Environmental → Air → Long-term EF 3.1 kg 0
65ab4d35-df19-489a-8803-d67ce8a033af Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
86659692-60da-4c75-984a-c9b0e4c67eaa Environmental → Air → Unknown EF 3.1 kg 4
3cfb933a-c96b-4984-80f9-0496bf6fbe95 Environmental → Ground → Agricultural EF 3.1 kg 4
d9651c2c-24d0-4628-86dc-3f67f98a7fb6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1bc8e0c4-543f-4a07-8f0b-e6c92a8f1dbd Environmental → Ground → Unknown EF 3.1 kg 4
24a7d526-d4d4-4c36-a843-b6a4bb04ee0b Environmental → Water → Long-term EF 3.1 kg 0
dabb6401-9e6b-4cc6-82f4-8b21c3ef744b Environmental → Water → Ocean EF 3.1 kg 4
095435f2-49d8-4976-82cb-7ba056853b7a Environmental → Water → Surface water EF 3.1 kg 4
793a1af1-7840-4a8e-a0c8-5fad76000706 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-26db7858434e7dad",
  "prefLabel": [
    {
      "@value": "P-toluidine",
      "@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-Amino-4-methylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=106-49-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Amino-1-methylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=106-49-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Aminotoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_37825"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Methyl-1-aminobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:106-49-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=106-49-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-methylaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_37825"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Methylbenzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_37825"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Methylphenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=106-49-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Toluidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_37825"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Tolylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=106-49-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 4-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. Azoic Coupling Component 107",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Naphthol AS-KG",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Naphtol AS-KG",
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      }
    },
    {
      "@value": "Naphtol AS-KGLL",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Aminotoluene",
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          "https://commonchemistry.cas.org/detail?cas_rn=106-49-0"
        ],
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      }
    },
    {
      "@value": "p-Methylaniline",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Methylbenzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "p-Methylphenylamine",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Tolylamine",
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  ],
  "properties": {
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      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "InChI",
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    },
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    },
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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      "attested_by": {
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