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ChEBI
> Main
CHEBI:7728 - octan-1-amine
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ChEBI Ontology
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ChEBI Name
octan-1-amine
ChEBI ID
CHEBI:7728
Definition
An 8-carbon primary aliphatic amine.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H19N
Net Charge
0
Average Mass
129.24320
Monoisotopic Mass
129.15175
InChI
InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
InChIKey
IOQPZZOEVPZRBK-UHFFFAOYSA-N
SMILES
CCCCCCCCN
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
octan-1-aminium (
CHEBI:195453
)
is conjugate acid of
octan-1-amine (
CHEBI:7728
)
IUPAC Name
octan-1-amine
Synonyms
Sources
1-Aminooctane
ChemIDplus
1-octanamine
ChEBI
Monoctylamine
KEGG COMPOUND
N-Octylamine
KEGG COMPOUND
Octylamine
KEGG COMPOUND
Manual Xref
Database
C01740
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
111-86-4
CAS Registry Number
KEGG COMPOUND
111-86-4
CAS Registry Number
ChemIDplus
1679227
Reaxys Registry Number
Reaxys
Citations
Types
Sources
29674022
PubMed citation
Europe PMC
37438993
PubMed citation
Europe PMC
6216130
PubMed citation
Europe PMC
Last Modified
26 September 2023