Consensus flow list

Identity

Type
NeutralMolecule
CAS
1917-44-8
EC
606-251-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,3,5-triazin-2(1h)-one, 4,6-diphenyl-

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KODLDJGSBFMSDG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H11N3O/c19-15-17-13(11-7-3-1-4-8-11)16-14(18-15)12-9-5-2-6-10-12/h1-10H,(H,16,17,18,19)
IUPAC name chemrof:IUPAC_name 1,3,5-triazin-2(1h)-one, 4,6-diphenyl-
Molecular formula chemrof:molecular_formula C15H11N3O
Molecular mass chemrof:molecular_mass 249.273
Monoisotopic mass chemrof:monoisotopic_mass 249.090212
SMILES string chemrof:smiles_string O=c1nc(-c2ccccc2)nc(-c2ccccc2)[nH]1

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=1917-44-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.117.391 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60274563 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=288740 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1570430 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J108.952H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135427225 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72473249 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e49fbfed-8abe-4e4d-88b8-b19eb5946f6e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9342a05e-5129-480c-9fb6-cfbd951dc47d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
da5b603b-4aff-497b-b1ed-c6b04ab437f8 Environmental → Air → Indoor EF 3.1 kg 2
9e8f5e2f-432f-4305-ae63-b95e169592ac Environmental → Air → Long-term EF 3.1 kg 0
53461baf-c2a1-49ab-b6c6-8aece323ff50 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
64622d20-6aa4-4fe9-b4d0-a17b868c692d Environmental → Air → Unknown EF 3.1 kg 2
00ea7ad2-6d2a-4194-bf5f-50925780a4ad Environmental → Ground → Agricultural EF 3.1 kg 2
8bc7cabc-7c3d-4177-a9de-38c026b0c8b0 Environmental → Ground → Non-agricultural EF 3.1 kg 2
67a0f2a8-ee84-4d88-b28e-a797008c60c7 Environmental → Ground → Unknown EF 3.1 kg 2
da81d2fd-f9c1-453e-bad3-01ede89bd08a Environmental → Water → Long-term EF 3.1 kg 0
aa91b303-db4d-4561-967f-9a2ed9099551 Environmental → Water → Ocean EF 3.1 kg 2
61718551-fead-4247-a88c-481ed2ee54be Environmental → Water → Surface water EF 3.1 kg 2
48dc9faf-556c-483b-83fe-fec52bc3d20e 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-928a3b83b9f29c97",
  "prefLabel": [
    {
      "@value": "1,3,5-triazin-2(1h)-one, 4,6-diphenyl-",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,4-Diphenyl-6-hydroxy-s-triazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=1917-44-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Diphenyl-1H-1,3,5-triazin-4-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxy-4,6-diphenyl-1,3,5-triazine",
      "@language": "en",
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      }
    },
    {
      "@value": "2-Hydroxy-4,6-diphenyl-s-triazine",
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    },
    {
      "@value": "4,6-Diphenyl-1,3,5-triazin-2(1H)-one",
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}

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