Consensus flow list

Identity

Type
Neutral molecule
CAS
1121-92-2
EC
214-342-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Perhydroazocine

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QXNDZONIWRINJR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2
IUPAC name chemrof:IUPAC_name Perhydroazocine
Molecular formula chemrof:molecular_formula C7H15N
Molecular mass chemrof:molecular_mass 113.204
Monoisotopic mass chemrof:monoisotopic_mass 113.120449, 113.12045
SMILES string chemrof:smiles_string C1CCCNCCC1

Known URLs

13

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
beilstein beilstein:102615 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1121-92-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38792 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.013.039 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020680 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186488 enrich_references.pubchem_identifier_url
gmelin gmelin:130714 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZC49N9GJJ2 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.709C enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56004 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14276 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2340670 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Azocane enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6e28dddd-4ef0-45f6-a984-30751282f4df Environmental → Air → Aircraft cruise height EF 3.1 kg 0
63a66f40-57d5-4538-8873-d630af1e9331 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
9fe1c629-3119-427d-8c8b-ea5a3652856b Environmental → Air → Indoor EF 3.1 kg 0
82c4c9cc-8839-49fd-ba0e-e3c7752d6a72 Environmental → Air → Long-term EF 3.1 kg 0
5d6b2274-18af-4cfd-a55a-4bc58914fc99 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
eb45f1f2-b4f6-4a2e-9911-f132f9c2a53f Environmental → Air → Unknown EF 3.1 kg 0
15bf6e4c-8e36-4b0d-98c9-507855dc420e Environmental → Ground → Agricultural EF 3.1 kg 0
1c35760d-ad38-478e-9784-0ab5c7647d5d Environmental → Ground → Non-agricultural EF 3.1 kg 0
9c78891e-2e70-42db-aec8-61c2e759e75e Environmental → Ground → Unknown EF 3.1 kg 0
fe0eedba-c021-41ee-b41d-09958ec2512c Environmental → Water → Long-term EF 3.1 kg 0
1633bafd-d657-41b8-9773-a96b333dfd53 Environmental → Water → Ocean EF 3.1 kg 0
e864ea9f-b2d1-4698-83bf-b9f852bb3cd7 Environmental → Water → Surface water EF 3.1 kg 0
5258b6b9-67f5-420c-9b1f-301af3ad3bb9 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
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          "@id": "https://commonchemistry.cas.org/detail?cas_rn=1121-92-2"
        }
      ],
      "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": [
        "214-342-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=214-342-5"
      ],
      "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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