Consensus flow list

Identity

Type
NeutralMolecule
CAS
295800-70-3
EC
807-717-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1,4-bis((2-ethylhexyl)amino)-5,8-dihydroxyanthracene-9,10-dione

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HJPZLFBZKDXVOA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C30H42N2O4/c1-5-9-11-19(7-3)17-31-21-13-14-22(32-18-20(8-4)12-10-6-2)26-25(21)29(35)27-23(33)15-16-24(34)28(27)30(26)36/h13-16,19-20,31-34H,5-12,17-18H2,1-4H3
IUPAC name chemrof:IUPAC_name 1,4-bis((2-ethylhexyl)amino)-5,8-dihydroxyanthracene-9,10-dione
Molecular formula chemrof:molecular_formula C30H42N2O4
Molecular mass chemrof:molecular_mass 494.676
Monoisotopic mass chemrof:monoisotopic_mass 494.314458
SMILES string chemrof:smiles_string CCCCC(CC)CNc1ccc(NCC(CC)CCCC)c2c1C(=O)c1c(O)ccc(O)c1C2=O

Known URLs

5

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=295800-70-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.235.509 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50630134 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23062166 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82537052 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
424cbdc1-fa89-4240-a7bf-d2a587ad436b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fa14fdc1-4ec5-4b28-81c0-ab32bb015583 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
dc70100b-7b17-4021-a6d3-3d6249423574 Environmental → Air → Indoor EF 3.1 kg 2
a756dc51-95a6-4168-bfcb-021222679211 Environmental → Air → Long-term EF 3.1 kg 0
47b5a5e9-cf51-407e-b571-b91576470351 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
03d65e09-9900-4140-bbf8-e4c504e8a76e Environmental → Air → Unknown EF 3.1 kg 2
97960812-39bc-4ca4-8525-7fa2ba9fbf4c Environmental → Ground → Agricultural EF 3.1 kg 2
ee5b3ca4-1882-4a49-ba87-2a64526fb5c7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
0d0a0d1f-84da-4534-8169-ae00356dde01 Environmental → Ground → Unknown EF 3.1 kg 2
d4ceb872-e929-42d3-b04b-aa8acc8d5c36 Environmental → Water → Long-term EF 3.1 kg 0
a2f89df1-d7ca-4fa0-a4d6-32191eed0e9e Environmental → Water → Ocean EF 3.1 kg 2
78401b13-bba0-485e-9e01-18d42cc4f621 Environmental → Water → Surface water EF 3.1 kg 2
93fcabc4-ff68-4c0b-95c8-c0daa59c6f2a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-51bed389f6c575de",
  "prefLabel": [
    {
      "@value": "1,4-bis((2-ethylhexyl)amino)-5,8-dihydroxyanthracene-9,10-dione",
      "@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": "1,4-Bis[(2-ethylhexyl)amino]-5,8-dihydroxy-9,10-anthracenedione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=295800-70-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "9,10-Anthracenedione, 1,4-bis[(2-ethylhexyl)amino]-5,8-dihydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C30H42N2O4"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
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        },
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
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      ],
      "provenance": [
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        },
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      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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      },
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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          ]
        },
        {
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          ]
        }
      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      "provenance": [
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  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "03d65e09-9900-4140-bbf8-e4c504e8a76e",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "@type": [
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  ]
}

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