Consensus flow list

Identity

Type
Neutral molecule
CAS
111-86-4
EC
203-916-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Octylamine

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IOQPZZOEVPZRBK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
IUPAC name chemrof:IUPAC_name Octylamine
Molecular formula chemrof:molecular_formula C8H19N
Molecular mass chemrof:molecular_mass 129.247
Monoisotopic mass chemrof:monoisotopic_mass 129.15175
SMILES string chemrof:smiles_string CCCCCCCCN

Known URLs

20

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=111-86-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7728 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.560 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8021939 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9824 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1160509 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SF0V8U4T67 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0255916 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.115B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01740 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C01740 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67555 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8143 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2735 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018552 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/29674022 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37438993 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6216130 enrich_references.chebi_xrefs
reaxys reaxys:1679227 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2013954 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
becdbd5a-53b6-4047-a6f0-523d951ba8be Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b7d09288-8d3f-4af9-8e73-ec48de1168b3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
75fd47ff-782b-4c13-818a-2fcdcb96eb6a Environmental → Air → Indoor EF 3.1 kg 4
bb933526-89b2-4d30-be4b-0638bdf9d706 Environmental → Air → Long-term EF 3.1 kg 0
0f999e90-04e1-4f1d-a633-ee770b2f84f4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
80c3d687-a94d-41ca-84fd-1b5386ceee37 Environmental → Air → Unknown EF 3.1 kg 4
c29b71a1-4945-4c42-b272-65dd8896c0a1 Environmental → Ground → Agricultural EF 3.1 kg 4
e8abd85d-c9c0-497e-9e00-aaa95f3d2118 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5a979b2c-e4c0-4d42-bf4b-2aba2bdd1079 Environmental → Ground → Unknown EF 3.1 kg 4
60bc6066-16e8-4bf4-bcd3-4b2fbf78de6e Environmental → Water → Long-term EF 3.1 kg 0
01b3f302-8cd1-4dcc-bf71-4cbcd5264c7e Environmental → Water → Ocean EF 3.1 kg 4
dbc46a51-e87a-4b6a-a436-7df217313394 Environmental → Water → Surface water EF 3.1 kg 4
f618c650-a21e-4c1b-876c-e7811ab5d4f1 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-043e3575359400d5",
  "prefLabel": [
    {
      "@value": "Octylamine",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Aminooctane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-octanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_7728"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-Octylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Amine OD",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Armeen 8",
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    {
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    },
    {
      "@value": "Farmin 08D",
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    },
    {
      "@value": "Genamin 8R",
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    },
    {
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    },
    {
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    },
    {
      "@value": "Monooctylamine",
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      }
    },
    {
      "@value": "N-Octylamine",
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    },
    {
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    },
    {
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        },
        {
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          "prov:hadPrimarySource": [
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