1,8-octanediamine
fo-a7074e8e091e2d6a
Identity
- Type
- Neutral molecule
- CAS
- 373-44-4
- EC
- 206-764-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
8- 1,8-Diamino-n-octane
- 1,8-Diaminooctane
- 1,8-Octamethylenediamine
- 1,8-Octylenediamine
- alpha,omega-diaminooctane
- Octamethylenediamine
- octane-1,8-diamine
- α,ω-Octanediamine
Properties
| Property | Value |
|---|---|
| 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
15Where 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 | 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)
Full record
Flow object JSON
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"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"373-44-4"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=373-44-4"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=373-44-4"
}
],
"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": [
"206-764-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=206-764-3"
],
"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,
"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",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_73112"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works