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> Main
CHEBI:346954 - octyltrimethylammonium bromide
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ChEBI Name
octyltrimethylammonium bromide
ChEBI ID
CHEBI:346954
Definition
A quarternary ammonium salt whose basic unit comprises an octyltrimethylammonium cation and a bromide anion.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C11H26BrN
Net Charge
0
Average Mass
252.23500
Monoisotopic Mass
251.12486
InChI
InChI=1S/C11H26N.BrH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1
InChIKey
XCOHAFVJQZPUKF-UHFFFAOYSA-M
SMILES
[Br-].CCCCCCCC[N+](C)(C)C
ChEBI Ontology
Outgoing
octyltrimethylammonium bromide (
CHEBI:346954
)
has part
octyltrimethylammonium ion (
CHEBI:55321
)
octyltrimethylammonium bromide (
CHEBI:346954
)
is a
bromide salt (
CHEBI:22925
)
octyltrimethylammonium bromide (
CHEBI:346954
)
is a
quaternary ammonium salt (
CHEBI:35273
)
IUPAC Name
N
,
N
,
N
-trimethyloctan-1-aminium bromide
Synonyms
Sources
N,N,N-Trimethyl-1-octanaminium bromide
ChemIDplus
n-Octyltrimethylammonium bromide
ChemIDplus
Octalone
ChemIDplus
Registry Numbers
Types
Sources
2083-68-3
CAS Registry Number
ChemIDplus
3628448
Beilstein Registry Number
Beilstein
3628448
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10669577
PubMed citation
ChEMBL
11254292
PubMed citation
Europe PMC
6196640
PubMed citation
Europe PMC
Last Modified
20 August 2014