Consensus flow list

Identity

Type
NeutralMolecule
CAS
2235-00-9
EC
218-787-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-vinylazepan-2-one

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JWYVGKFDLWWQJX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H13NO/c1-2-9-7-5-3-4-6-8(9)10/h2H,1,3-7H2
IUPAC name chemrof:IUPAC_name 1-vinylazepan-2-one
Molecular formula chemrof:molecular_formula C8H13NO
Molecular mass chemrof:molecular_mass 139.198
Monoisotopic mass chemrof:monoisotopic_mass 139.099714
SMILES string chemrof:smiles_string C=CN1CCCCCC1=O

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=2235-00-9 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25189-83-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.080 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1041423 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188330 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KFC10CY9UP enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J213.131E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/75227 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q15712391 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q15712394 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5b2a3f2b-ec54-4525-b0f4-974a86e530cf Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1e6d47a1-8159-480e-993c-7690a10600ea Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f28cc508-c663-420b-9c12-cde97979944c Environmental → Air → Indoor EF 3.1 kg 4
0ab9f903-84c7-4ef9-ba65-d971bd3ee623 Environmental → Air → Long-term EF 3.1 kg 0
22a4acc4-7ff8-4e16-957c-68a1e00fab5e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a96b74a3-ce44-42d4-8308-d96c57ac75d1 Environmental → Air → Unknown EF 3.1 kg 4
022410dd-f45e-4078-a7a1-a1adbe584350 Environmental → Ground → Agricultural EF 3.1 kg 4
04e6e79e-ec1c-4167-93e3-dc9be0ae7692 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5e0a6552-9e6d-4f49-b71e-7cf70b5017e0 Environmental → Ground → Unknown EF 3.1 kg 4
0149defb-0022-404a-821f-86f3c079b3e4 Environmental → Water → Long-term EF 3.1 kg 0
06e7cb3d-a749-4a41-9247-ed1821cbb1ac Environmental → Water → Ocean EF 3.1 kg 4
e5e348d4-ca33-4cae-8fec-7277cf5034f6 Environmental → Water → Surface water EF 3.1 kg 4
8b83268a-6fa3-4b68-b5c5-5e2924c51ea2 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-86672b50e58d6742",
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    {
      "@value": "1-Ethenylazepan-2-one",
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    {
      "@value": "1-Ethenylhexahydro-2H-azepin-2-one",
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "218-787-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=218-787-6"
      ],
      "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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