Consensus flow list

Identity

Type
Neutral molecule
CAS
10291-28-8
EC
233-651-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,5-bis[(4-methylphenyl)amino]terephthalic Acid

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FVLUGNOOEZYDNV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H20N2O4/c1-13-3-7-15(8-4-13)23-19-11-18(22(27)28)20(12-17(19)21(25)26)24-16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)
IUPAC name chemrof:IUPAC_name 2,5-bis[(4-methylphenyl)amino]terephthalic Acid
Molecular formula chemrof:molecular_formula C22H20N2O4
Molecular mass chemrof:molecular_mass 376.412
Monoisotopic mass chemrof:monoisotopic_mass 376.142307
SMILES string chemrof:smiles_string Cc1ccc(Nc2cc(C(=O)O)c(Nc3ccc(C)cc3)cc2C(=O)O)cc1

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=10291-28-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.030.579 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4065024 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=319997 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5ZI978ES5L enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J180.896F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/82524 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81985313 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
148d511f-0191-4929-81ea-dbcb5ca07ec0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b59ee1c9-42ab-4eef-a328-208b38441bda Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
bf7fd077-0ec5-4a65-bece-9cab458b4716 Environmental → Air → Indoor EF 3.1 kg 2
60507852-6de1-4612-9a94-f442d3fc4ac7 Environmental → Air → Long-term EF 3.1 kg 0
b461db7a-5b89-44e3-809d-29536abe68ff Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
07fb3126-dc4d-411f-980d-4bb5c7ac9e04 Environmental → Air → Unknown EF 3.1 kg 2
56936c52-20d7-4572-b28d-db2417b3faf8 Environmental → Ground → Agricultural EF 3.1 kg 2
2a160ff3-53dc-46b5-b78d-c292dca3e2e9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
bafd52ae-ed98-4780-9732-286795c15a27 Environmental → Ground → Unknown EF 3.1 kg 2
3d9ac604-15a6-4682-8f24-7ee17409214f Environmental → Water → Long-term EF 3.1 kg 0
6ac2e84d-4f54-4307-8e50-72a379c758db Environmental → Water → Ocean EF 3.1 kg 2
e2cc9b04-af13-4066-afee-9e752e891647 Environmental → Water → Surface water EF 3.1 kg 2
e5df3ee8-f512-4469-a5f7-27e6ad5bd1f3 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-4d1d8091c44931f5",
  "prefLabel": [
    {
      "@value": "2,5-bis[(4-methylphenyl)amino]terephthalic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Benzenedicarboxylic acid, 2,5-bis[(4-methylphenyl)amino]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=10291-28-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,5-Bis(4-methylanilino)terephthalic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,5-Bis(4-toluidino)terephthalic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,5-Bis(p-toluidino)terephthalic acid",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "2,5-Bis(p-tolylamino)terephthalic acid",
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    },
    {
      "@value": "2,5-Bis[(4-methylphenyl)amino]-1,4-benzenedicarboxylic acid",
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    },
    {
      "@value": "2,5-Di(4-methylphenylamino)terephthalic acid",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,5-Di-p-toluidinoterephthalic acid",
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    },
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}

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