Consensus flow list

Identity

Type
NeutralMolecule
CAS
373-44-4
EC
206-764-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,8-octanediamine

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PWGJDPKCLMLPJW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
IUPAC name chemrof:IUPAC_name 1,8-octanediamine
Molecular formula chemrof:molecular_formula C8H20N2
Molecular mass chemrof:molecular_mass 144.262
Monoisotopic mass chemrof:monoisotopic_mass 144.162649, 144.16265
SMILES string chemrof:smiles_string NCCCCCCCCN

Known URLs

15

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=373-44-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73112 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.150 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9073173 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB04333 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL29392 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/53A6694PIE enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.924B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=66260 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=18-DIAMINOOCTANE enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL29392 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24250 enrich_references.pubchem_compound
reaxys reaxys:1735426 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27095148 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Octamethylenediamine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4a67e0a4-920b-417f-aed4-a5d3ce4f227c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c9938077-3cd6-4a17-813e-d333eb5395d2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
91819799-a856-41f3-a0ed-8eaa9b80a78a Environmental → Air → Indoor EF 3.1 kg 2
1ceaf934-1632-40c7-9275-218c2f0f4514 Environmental → Air → Long-term EF 3.1 kg 0
194db12b-d09a-4977-b681-f99c6a15f7e6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3e087df9-96c4-48dc-9894-b3929719bd24 Environmental → Air → Unknown EF 3.1 kg 2
1909d8d0-e16c-484b-9545-c1db42ae7003 Environmental → Ground → Agricultural EF 3.1 kg 2
f8afffde-d5a9-4c2a-871b-c5a657c2d098 Environmental → Ground → Non-agricultural EF 3.1 kg 2
97e2be66-b6f3-41db-86ad-39935da218d7 Environmental → Ground → Unknown EF 3.1 kg 2
b6c487f6-36f4-4e35-bd6b-84697ae4db81 Environmental → Water → Long-term EF 3.1 kg 0
e19b2b5e-dfa9-4d39-afb9-2a364d38597d Environmental → Water → Ocean EF 3.1 kg 2
967c588a-ff13-4632-abd4-494b46563b64 Environmental → Water → Surface water EF 3.1 kg 2
6482fa50-faca-4374-af29-d392c5d1c8ee 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-a7074e8e091e2d6a",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,8-Diamino-n-octane",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
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    },
    {
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    },
    {
      "@value": "Octamethylenediamine",
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    },
    {
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    "seed_uuid": "1909d8d0-e16c-484b-9545-c1db42ae7003",
    "seed_source": "EF 3.1",
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      ],
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        ],
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "An alkane-α,ω-diamine in which the two amino groups are separated by eight methylene groups.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
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      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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