Consensus flow list

Identity

Type
NeutralMolecule
CAS
116-75-6
EC
204-155-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,4-bis(mesitylamino)-9,10-anthraquinone

Alternative labels

25

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DMDRBXCDTZRMHZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C32H30N2O2/c1-17-13-19(3)29(20(4)14-17)33-25-11-12-26(34-30-21(5)15-18(2)16-22(30)6)28-27(25)31(35)23-9-7-8-10-24(23)32(28)36/h7-16,33-34H,1-6H3
IUPAC name chemrof:IUPAC_name 1,4-bis(mesitylamino)-9,10-anthraquinone
Molecular formula chemrof:molecular_formula C32H30N2O2
Molecular mass chemrof:molecular_mass 474.604
Monoisotopic mass chemrof:monoisotopic_mass 474.230728
SMILES string chemrof:smiles_string Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1

Known URLs

8

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=116-75-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.778 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3051593 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=135500 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z54546JQXT enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.355G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61042 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27295004 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ccf62251-ba7c-4193-bcb1-20d6526d5bc9 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bab6315c-16a8-4505-8226-4c97c15c631e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
312aee62-9b4c-41f7-a4c9-9e830e665eab Environmental → Air → Indoor EF 3.1 kg 4
9c48b99e-3d36-4773-99e0-534422c370b4 Environmental → Air → Long-term EF 3.1 kg 0
c5746a12-97a1-4f9f-abf0-786b223bd710 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c5c88391-a604-403a-bc36-3833fcf6bd8b Environmental → Air → Unknown EF 3.1 kg 4
b189dc3d-86dd-45f0-af7f-12213aebcc4b Environmental → Ground → Agricultural EF 3.1 kg 4
288be898-1b16-4027-8108-2bd9c6c7cbc9 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4126b5ae-4f90-4564-9281-aed0b5c96025 Environmental → Ground → Unknown EF 3.1 kg 4
6b1ccd6f-f1be-40d1-8d9a-fe3fa56d0324 Environmental → Water → Long-term EF 3.1 kg 0
fb2b8e67-8f70-4bea-b932-2963c41c01c1 Environmental → Water → Ocean EF 3.1 kg 4
ab12efcb-2b68-45c8-9702-f65c2122771a Environmental → Water → Surface water EF 3.1 kg 4
9238fa0c-ba8f-461a-b16f-1b5686884f00 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c15b393baf7b6ac6",
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    {
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Bis(2,4,6-trimethylanilino)-9,10-anthraquinone",
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    },
    {
      "@value": "1,4-Bis(2,4,6-trimethylanilino)anthracene-9,10-dione",
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    },
    {
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    },
    {
      "@value": "1,4-Bis(mesitylamino)anthraquinone",
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    },
    {
      "@value": "1,4-Bis[(2,4,6-trimethylphenyl)amino]-9,10-anthracenedione",
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    {
      "@value": "1,4-Bis[(2,4,6-trimethylphenyl)amino]anthracene-9,10-dione",
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      }
    },
    {
      "@value": "1,4-Dimesidinoanthraquinone",
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    },
    {
      "@value": "9,10-Anthracenedione, 1,4-bis[(2,4,6-trimethylphenyl)amino]-",
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    },
    {
      "@value": "Anthraquinone, 1,4-bis(2,4,6-trimethylanilino)-",
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    {
      "@value": "C.I. Solvent Blue 104",
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    },
    {
      "@value": "Elbaplast Blue R",
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    {
      "@value": "Estofil Blue S-RBL",
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    },
    {
      "@value": "Fat Soluble Brilliant Blue Anthraquinone",
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    },
    {
      "@value": "FS Blue 1547",
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    },
    {
      "@value": "Keyplast Blue KR",
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      }
    },
    {
      "@value": "KP Plast Blue GR",
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      }
    },
    {
      "@value": "Nitro Fast Blue 2B",
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    },
    {
      "@value": "Optica Global PRT Blue",
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    },
    {
      "@value": "Optica Global PRT Blue Toner",
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    },
    {
      "@value": "Polysynthren Blue RBL",
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    },
    {
      "@value": "Sandoplast Blue 2B",
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      }
    },
    {
      "@value": "Sandoplast Blue 2BP",
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      }
    },
    {
      "@value": "Solvaperm Blue 2B",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "Solvent Blue 104",
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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        "C32H30N2O2"
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    },
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        "DMDRBXCDTZRMHZ-UHFFFAOYSA-N"
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C32H30N2O2/c1-17-13-19(3)29(20(4)14-17)33-25-11-12-26(34-30-21(5)15-18(2)16-22(30)6)28-27(25)31(35)23-9-7-8-10-24(23)32(28)36/h7-16,33-34H,1-6H3"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "Molecular mass",
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