Consensus flow list

Identity

Type
Neutral molecule
CAS
55-80-1
EC
200-243-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for N,n-dimethyl-4-[(3-methylphenyl)azo]benzenamine

Alternative labels

29

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LVTFSVIRYMXRSR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H17N3/c1-12-5-4-6-14(11-12)17-16-13-7-9-15(10-8-13)18(2)3/h4-11H,1-3H3
IUPAC name chemrof:IUPAC_name 3'-methyl-4-(N,N-dimethylamino)azobenzene
Molecular formula chemrof:molecular_formula C15H17N3
Molecular mass chemrof:molecular_mass 239.322
Monoisotopic mass chemrof:monoisotopic_mass 239.142248
SMILES string chemrof:smiles_string Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1

Known URLs

12

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=55-80-1 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:76329 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.222 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020838 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90858996 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59783 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1521514 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SXK3ZE3U4Q enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246103 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.799E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5934 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q26841226 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d86c61da-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-b050-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c7dcb031-135c-4f5e-8a6a-15e6f923d634 Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-b04f-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b051-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-b04e-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-b04c-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-b055-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-b04d-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-b053-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b056-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-b052-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
fe0acd60-3ddc-11dd-b054-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-961010ae7fc28683",
  "prefLabel": [
    {
      "@value": "N,n-dimethyl-4-[(3-methylphenyl)azo]benzenamine",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3',N,N-trimethyl-4-aminoazobenzene",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
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      }
    },
    {
      "@value": "3'-Me-Dab",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3'-methyl-4-(dimethylamine)azobenzene",
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    {
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    },
    {
      "@value": "3'-methyl-4-(N,N-dimethylamino)azobenzene",
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      }
    },
    {
      "@value": "3'-methyl-4-dimethylaminoazobenzene",
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    },
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3'-methyl-N,N-dimethyl-4-aminoazobenzene",
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      "provenance": {
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    },
    {
      "@value": "3'-Methylbuttergelb",
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      }
    },
    {
      "@value": "3'-Methyldimethylaminoazobenzol",
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      }
    },
    {
      "@value": "3-Methyl-4′-(dimethylamino)azobenzene",
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      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "3′-MDAB",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "3′-Methyl-4-(dimethylamino)azobenzene",
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        ],
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      }
    },
    {
      "@value": "3′-Methyl-N,N-dimethyl-4-aminoazobenzene",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(Dimethylamino)-3′-methylazobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "4-(N,N-dimethylamino)-3'-methylazobenzene",
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        ],
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      }
    },
    {
      "@value": "4-dimethylamino-3'-methylazobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Aniline, N,N-dimethyl-p-(m-tolylazo)-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, N,N-dimethyl-4-[(3-methylphenyl)azo]-",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, N,N-dimethyl-4-[2-(3-methylphenyl)diazenyl]-",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m'-methyl-p-dimethylaminoazobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "MDAB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,N,3′-Trimethyl-4-aminoazobenzene",
      "@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=55-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N-Dimethyl-4-(3-methylphenylazo)aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=55-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N-dimethyl-4-[(3-methylphenyl)diazenyl]aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,N-dimethyl-4-[(E)-(3-methylphenyl)diazenyl]aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,N-Dimethyl-4-[2-(3-methylphenyl)diazenyl]benzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N-dimethyl-p-(m-tolylazo)aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C15H17N3"
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      },
      "rdfs:label": "Molecular formula",
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        {
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C15H17N3/c1-12-5-4-6-14(11-12)17-16-13-7-9-15(10-8-13)18(2)3/h4-11H,1-3H3"
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