Octadecyltrimethylammonium bromide

C21H46BrNCAS 1120-02-1392.51 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C21H46BrN
Molar mass
392.51 g/mol
Exact mass
391.2814 Da
Melting point
230–240 °C (decomposes)
logP
3.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
17

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1120-02-1
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChIKey
SZEMGTQCPRNXEG-UHFFFAOYSA-M
InChI
InChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

23 names · show all
  • 1-Octadecanaminium, N,N,N-trimethyl-, bromide (1:1)
  • Trimethyloctadecylammonium bromide
  • Ammonium, trimethyloctadecyl-, bromide
  • 1-Octadecanaminium, N,N,N-trimethyl-, bromide
  • Morpan O
  • n-Octadecyltrimethylammonium bromide
  • Softex
  • Stearyltrimethylammonium bromide
  • N,N,N-Trimethyl-1-octadecanaminium bromide
  • Eveite B 18
  • Vulnoc OB
  • Zeonet B
  • Trimethylstearylammonium bromide
  • N,N,N-Trimethyloctadecan-1-ammonium bromide
  • OTAB
  • STAB
  • Catinal STB
  • Zeonet BF
  • OTMA
  • Stearyltrimonium bromide
  • Catinal STB 70
  • Steartrimonium bromide
  • OctMAB

Work with Octadecyltrimethylammonium 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Stearyltrimethylammonium chloride112-03-8Salt

Similar compounds

Dodecyltrimethylammonium bromide1119-94-4100 % similar Tetradecyltrimethylammonium bromide1119-97-7100 % similar Decyltrimethylammonium bromide2082-84-0100 % similar Octyltrimethylammonium bromide2083-68-3100 % 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

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