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CHEBI:73112 - 1,8-diaminooctane

Default Structure
ChEBI IDCHEBI:73112
ChEBI Name1,8-diaminooctane
Stars
DefinitionAn alkane-α,ω-diamine in which the two amino groups are separated by eight methylene groups.
Last Modified19 November 2015
SubmitterSBeisken
DownloadsMolfile
FormulaC8H20N2
Net Charge0
Average Mass144.262
Monoisotopic Mass144.16265
SMILESNCCCCCCCCN
InChIInChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
InChIKeyPWGJDPKCLMLPJW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1,8-diaminooctane (CHEBI:73112) has parent hydride octane (CHEBI:17590)
1,8-diaminooctane (CHEBI:73112) is a alkane-α,ω-diamine (CHEBI:35411)
Incoming Relation(s)
WIN 18446 (CHEBI:90441) has functional parent 1,8-diaminooctane (CHEBI:73112)
guazatine (CHEBI:82843) has part 1,8-diaminooctane (CHEBI:73112)
IUPAC Name 
octane-1,8-diamine
Synonyms  Source
1,8-OctamethylenediamineChemIDplus
1,8-octanediamineChEBI
1,8-OctylenediamineChemIDplus
OctamethylenediamineChemIDplus
α,ω-diaminooctaneChEBI
Manual XrefsDatabases
18-DIAMINOOCTANEMetaCyc
Registry NumbersSources
Reaxys:1735426Reaxys
CAS:373-44-4NIST Chemistry WebBook
CAS:373-44-4ChemIDplus