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CHEBI:5712 - 1-hexanamine

ChEBI IDCHEBI:5712
ChEBI Name1-hexanamine
Stars
DefinitionA 6-carbon primary aliphatic amine.
Last Modified28 July 2014
DownloadsMolfile
FormulaC6H15N
Net Charge0
Average Mass101.193
Monoisotopic Mass101.12045
SMILESCCCCCCN
InChIInChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3
InChIKeyBMVXCPBXGZKUPN-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)
1-hexanamine (CHEBI:5712) has role metabolite (CHEBI:25212)
1-hexanamine (CHEBI:5712) is a primary aliphatic amine (CHEBI:17062)
1-hexanamine (CHEBI:5712) is conjugate base of hexan-1-aminium (CHEBI:195452)
Incoming Relation(s)
hexan-1-aminium (CHEBI:195452) is conjugate acid of 1-hexanamine (CHEBI:5712)
IUPAC Name 
hexan-1-amine
Synonyms  Source
HexylamineKEGG COMPOUND
1-aminohexaneChEBI
N-hexylamineChEBI
Mono-n-hexylamineChemIDplus
Manual XrefsDatabases
C08306KEGG COMPOUND
C00001413KNApSAcK
Registry NumbersSources
Reaxys:1731298Reaxys
CAS:111-26-2KEGG COMPOUND
CAS:111-26-2ChemIDplus