Consensus flow list

Identity

Type
NeutralMolecule
CAS
128-80-3
EC
204-909-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,4-bis[(4-methylphenyl)amino]-9,10-anthraquinone

Alternative labels

59

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string TVRGPOFMYCMNRB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C28H22N2O2/c1-17-7-11-19(12-8-17)29-23-15-16-24(30-20-13-9-18(2)10-14-20)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3
IUPAC name chemrof:IUPAC_name 1,4-bis[(4-methylphenyl)amino]-9,10-anthraquinone
Molecular formula chemrof:molecular_formula C28H22N2O2
Molecular mass chemrof:molecular_mass 418.496
Monoisotopic mass chemrof:monoisotopic_mass 418.168128
SMILES string chemrof:smiles_string Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1

Known URLs

10

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=128-80-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.464 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9044376 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=84207 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4QP5U84YF7 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.356E enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C71648 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31416 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=292270 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q7272243 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d49a6b61-c037-4e87-99bc-804897af5de0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1a64b74b-8f99-4e08-878c-e909e6261199 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3b424d2a-f952-4a49-94cf-07aa3ccd8c8b Environmental → Air → Indoor EF 3.1 kg 2
a7a840ba-a980-4e78-8524-9ff34de07c35 Environmental → Air → Long-term EF 3.1 kg 0
eedfe2cf-03e2-4a5a-a16a-927600f7ade3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
31599ca3-d17b-4d4e-b565-633760a83a5b Environmental → Air → Unknown EF 3.1 kg 2
49bd016d-b627-420a-a56a-7b8b77b79376 Environmental → Ground → Agricultural EF 3.1 kg 2
7684e7c0-7227-4c9e-bc52-57eb3571e704 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c7061bc9-27a4-4b82-94df-3d4f32ef69b8 Environmental → Ground → Unknown EF 3.1 kg 2
4f518f0a-491b-40b0-9d7a-0f9c990e6b97 Environmental → Water → Long-term EF 3.1 kg 0
b10473ee-8188-45b0-aa80-cb061ffc3e9d Environmental → Water → Ocean EF 3.1 kg 2
ee16b811-a43d-433d-bd4c-5f6b6a0978b5 Environmental → Water → Surface water EF 3.1 kg 2
c9dca4ee-9b15-4a53-b797-4920ab74729c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f94b25e126376ceb",
  "prefLabel": [
    {
      "@value": "1,4-bis[(4-methylphenyl)amino]-9,10-anthraquinone",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Bis(4-methylanilino)anthracene-9,10-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Bis(4′-methylanilino)anthraquinone",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Bis(p-tolylamino)anthracene-9,10-dione",
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      }
    },
    {
      "@value": "1,4-Bis(p-tolylamino)anthraquinone",
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    },
    {
      "@value": "1,4-Bis-p-toluidino-9,10-anthraquinone",
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    {
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    },
    {
      "@value": "1,4-Bis[(4-methylphenyl)amino]anthraquinone",
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      "@value": "1,4-Di-p-toluidinoanthraquinone",
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    },
    {
      "@value": "9,10-Anthracenedione, 1,4-bis[(4-methylphenyl)amino]-",
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    {
      "@value": "Ahcoquinone Cyanine Green Base",
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    },
    {
      "@value": "Alizarine Cyanine Green Base",
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      "@value": "Alizarine Cyanine Green G Fat Soluble",
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    {
      "@value": "Amaplast Green OZ",
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      }
    },
    {
      "@value": "Anthraquinone Green G Base",
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    {
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      "@value": "Arlosol Green BSS",
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      "@value": "Ceres Green BB",
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      "@value": "D and C Green No. 6",
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    {
      "@value": "Fat Soluble Anthraquinone Green",
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    {
      "@value": "Fat Soluble Green Anthraquinone",
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      "@value": "Green 6",
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      "@value": "Green No. 202",
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      "@value": "Kayaset Green A-B",
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      "@value": "KP Plast Green G",
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        "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": [
        "128-80-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=128-80-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=128-80-3"
        }
      ],
      "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": [
        "204-909-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=204-909-5"
      ],
      "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"
  ]
}

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