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CHEBI:7728 - octan-1-amine

ChEBI IDCHEBI:7728
ChEBI Nameoctan-1-amine
Stars
DefinitionAn 8-carbon primary aliphatic amine.
Last Modified26 September 2023
DownloadsMolfile
FormulaC8H19N
Net Charge0
Average Mass129.247
Monoisotopic Mass129.15175
SMILESCCCCCCCCN
InChIInChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
InChIKeyIOQPZZOEVPZRBK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
octan-1-amine (CHEBI:7728) has role metabolite (CHEBI:25212)
octan-1-amine (CHEBI:7728) is a primary aliphatic amine (CHEBI:17062)
octan-1-amine (CHEBI:7728) is conjugate base of octan-1-aminium (CHEBI:195453)
Incoming Relation(s)
octan-1-aminium (CHEBI:195453) is conjugate acid of octan-1-amine (CHEBI:7728)
IUPAC Name 
octan-1-amine
Synonyms  Source
OctylamineKEGG COMPOUND
N-OctylamineKEGG COMPOUND
MonoctylamineKEGG COMPOUND
1-octanamineChEBI
1-AminooctaneChemIDplus
Manual XrefsDatabases
C01740KEGG COMPOUND
Registry NumbersSources
Reaxys:1679227Reaxys
CAS:111-86-4KEGG COMPOUND
CAS:111-86-4ChemIDplus
Citations