Consensus flow list

Identity

Type
Neutral molecule
CAS
93-68-5
EC
202-267-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Butanamide, N-(2-methylphenyl)-3-oxo-

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string TVZIWRMELPWPPR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
IUPAC name chemrof:IUPAC_name Butanamide, N-(2-methylphenyl)-3-oxo-
Molecular formula chemrof:molecular_formula C11H13NO2
Molecular mass chemrof:molecular_mass 191.23
Monoisotopic mass chemrof:monoisotopic_mass 191.094629
SMILES string chemrof:smiles_string CC(=O)CC(=O)Nc1ccccc1C

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=93-68-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.062 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3026562 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7655 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1893178 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/MCN1GV8J3R enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2924.29.20.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.680I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7154 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27283887 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f5bb82fb-a090-400b-878a-1d88cbd7deea Environmental → Air → Aircraft cruise height EF 3.1 kg 4
361899cd-7fed-4266-8371-d91be05fa347 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7152c4cd-400f-418e-a276-d2767b313a71 Environmental → Air → Indoor EF 3.1 kg 4
1ebc446a-5f5c-452e-85ba-bf6972473e8e Environmental → Air → Long-term EF 3.1 kg 0
f35289f9-7c72-4d13-8b77-c31ac350485a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
616284af-56d5-4393-9a7c-34a6440353c5 Environmental → Air → Unknown EF 3.1 kg 4
8f28bea2-f424-409e-ae44-dfdc3b5ccd02 Environmental → Ground → Agricultural EF 3.1 kg 4
629a8cac-2342-49fa-a6a1-dac7161235ff Environmental → Ground → Non-agricultural EF 3.1 kg 4
deb63f3a-9006-450e-9910-5b630a75e43d Environmental → Ground → Unknown EF 3.1 kg 4
7fa2245f-ea4e-4ae3-9fd2-78a3af278b5a Environmental → Water → Long-term EF 3.1 kg 0
0af03933-a380-4a44-bd54-c4f3ff4b2d9f Environmental → Water → Ocean EF 3.1 kg 4
d0bac989-a6dd-4358-b99f-f6611c6477b9 Environmental → Water → Surface water EF 3.1 kg 4
73a49be0-98b0-484c-b7f4-2869a37acc68 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
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        "https://echa.europa.eu/search-for-chemicals?query=202-267-0"
      ],
      "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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