chempirical

Octyltrimethylammonium bromide

C11H26BrNCAS 2083-68-3252.24 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C11H26BrN
Molar mass
252.24 g/mol
Exact mass
251.1249 Da
Melting point
198–200 °C
Boiling point
114 °C (at 5 Torr)
logP
0.06Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Identifiers

CAS number
2083-68-3
SMILES
CCCCCCCC[N+](C)(C)C.[Br-]
InChIKey
XCOHAFVJQZPUKF-UHFFFAOYSA-M
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 1-Octanaminium, N,N,N-trimethyl-, bromide (1:1)
  • Ammonium, trimethyloctyl-, bromide
  • 1-Octanaminium, N,N,N-trimethyl-, bromide
  • Trimethyloctylammonium bromide
  • Octalone
  • N,N,N-Trimethyl-1-octanaminium bromide
  • n-Octyltrimethylammonium bromide
  • N-Octyl-N,N,N-trimethylammonium bromide
  • C 8TAB
  • TrimethylQUAT?

Work with Octyltrimethylammonium bromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dodecyltrimethylammonium bromide1119-94-4100 % similar Tetradecyltrimethylammonium bromide1119-97-7100 % similar Octadecyltrimethylammonium bromide1120-02-1100 % similar Decyltrimethylammonium bromide2082-84-0100 % similar Cetrimonium bromide57-09-0100 % similar Decamethonium bromide541-22-075 % similar Hexamethonium bromide55-97-075 % similar Caprylyltrimethylammonium chloride10108-86-874 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook