Consensus flow list

Identity

Type
Neutral molecule
CAS
2210-24-4
EC
606-936-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-phenylacrylamide

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BPCNEKWROYSOLT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H9NO/c1-2-9(11)10-8-6-4-3-5-7-8/h2-7H,1H2,(H,10,11)
IUPAC name chemrof:IUPAC_name N-phenylacrylamide
Molecular formula chemrof:molecular_formula C9H9NO
Molecular mass chemrof:molecular_mass 147.177
Monoisotopic mass chemrof:monoisotopic_mass 147.068414
SMILES string chemrof:smiles_string C=CC(=O)Nc1ccccc1

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=2210-24-4 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25620-46-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.063 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60278268 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6857 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2086477 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A2AQJ9FV2G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J716.403C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/221792 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72501160 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7e2d45af-659b-43ea-a6fd-8164b2f569eb Environmental → Air → Aircraft cruise height EF 3.1 kg 2
12d7018a-db45-4043-a23a-f5e71a109e01 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
862533a9-0781-4cfd-8a40-a1de1261b626 Environmental → Air → Indoor EF 3.1 kg 2
1f0e9d39-eff0-453c-884f-d5e380becc28 Environmental → Air → Long-term EF 3.1 kg 0
8937fd3a-b144-4cc0-bafd-d059b0b57e34 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
521f0981-ee15-4db9-83e0-fd2a54fe7378 Environmental → Air → Unknown EF 3.1 kg 2
efd0bfbc-12c9-4a39-a2fa-ebfdfac43d2f Environmental → Ground → Agricultural EF 3.1 kg 2
29b2ca9a-e505-4b39-9984-c580fe169d38 Environmental → Ground → Non-agricultural EF 3.1 kg 2
b15b45e1-b6d9-4168-880b-19b6807bd691 Environmental → Ground → Unknown EF 3.1 kg 2
220fb93d-54e7-4e6f-b715-4ea63a52684a Environmental → Water → Long-term EF 3.1 kg 0
27d9cc98-2c93-4def-aabe-5d8b8c6ef18b Environmental → Water → Ocean EF 3.1 kg 2
722b2f9c-13d8-4d25-b5fd-ab29c964ca3f Environmental → Water → Surface water EF 3.1 kg 2
deb84bf1-8fe8-4197-88fc-a2cd9a420074 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-0d1ba8ed4f547d69",
  "prefLabel": [
    {
      "@value": "N-phenylacrylamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Propenamide, N-phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2210-24-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acrylanilide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2210-24-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Acryloylaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Phenyl-2-propenamide",
      "@language": "en",
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      "provenance": {
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  "properties": {
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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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      "attested_by": {
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  },
  "references": [
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}

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