Consensus flow list

Identity

Type
Neutral molecule
CAS
947-04-6
EC
213-424-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Laurolactam

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JHWNWJKBPDFINM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)
IUPAC name chemrof:IUPAC_name Laurolactam
Molecular formula chemrof:molecular_formula C12H23NO
Molecular mass chemrof:molecular_mass 197.322
Monoisotopic mass chemrof:monoisotopic_mass 197.17796, 197.177964
SMILES string chemrof:smiles_string O=C1CCCCCCCCCCCN1

Known URLs

14

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=25038-74-8 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=947-04-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:172332 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.204 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.13099.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1027344 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=77100 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3181948 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UB8VFC953G enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2933.79.40.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J12.504K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13690 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2043636 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Laurolactam enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
52fe6d3d-f438-4dfa-8204-384fc8da8c1d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f82470fc-4ac6-4d23-8058-35cb925b255a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d76abd02-03a2-421e-a7bd-ebca553b2310 Environmental → Air → Indoor EF 3.1 kg 4
574118d0-eab4-4a74-806c-3c43762b50f4 Environmental → Air → Long-term EF 3.1 kg 0
42501cc6-b115-4569-b5a1-aabefff408d0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
14b0b265-8853-4dc2-ad00-0fdef84a9035 Environmental → Air → Unknown EF 3.1 kg 4
582dc8df-9c7c-454d-b5fa-c6ca35f76e07 Environmental → Ground → Agricultural EF 3.1 kg 4
f14d66e5-155c-42b3-8021-0f980e3fb55e Environmental → Ground → Non-agricultural EF 3.1 kg 4
870e0482-4c19-4977-8715-b0807dc3b234 Environmental → Ground → Unknown EF 3.1 kg 4
989c9fc2-66fd-45aa-b361-d15e4f6c22f8 Environmental → Water → Long-term EF 3.1 kg 0
8ade0542-06de-4128-9487-7a85267cf47b Environmental → Water → Ocean EF 3.1 kg 4
cbf20bec-fd3d-4b6e-940f-4da64e89e4f2 Environmental → Water → Surface water EF 3.1 kg 4
a3dffa71-ead8-4017-9253-affc4a1407f6 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ba9720fb62220e89",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Aza-2-cyclotridecanone",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "12-Aminododecanoic acid lactam",
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        ],
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      }
    },
    {
      "@value": "2-Oxododecamethylenimine",
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    },
    {
      "@value": "azacyclotridecan-2-one",
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    },
    {
      "@value": "Cyclododecalactam",
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        ],
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      }
    },
    {
      "@value": "Dodecalactam",
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    },
    {
      "@value": "Dodecane-12-lactam",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
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      "@value": "Dodecanolactam",
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    },
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    },
    {
      "@value": "Laurin lactam",
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    },
    {
      "@value": "Lauryl lactam",
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  "references": [
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