chempirical

Cetyldimethylethylammonium bromide

C20H44BrNCAS 124-03-8378.48 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C20H44BrN
Molar mass
378.48 g/mol
Exact mass
377.2657 Da
Melting point
182 °C
logP
3.57Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
16

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
124-03-8
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]
InChIKey
VUFOSBDICLTFMS-UHFFFAOYSA-M
InChI
InChI=1S/C20H44N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;/h5-20H2,1-4H3;1H/q+1;/p-1

Weigh it out

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Names and synonyms

15 names · show all
  • 1-Hexadecanaminium, N-ethyl-N,N-dimethyl-, bromide (1:1)
  • Ammonium, ethylhexadecyldimethyl-, bromide
  • Ethylhexadecyldimethylammonium bromide
  • 1-Hexadecanaminium, N-ethyl-N,N-dimethyl-, bromide
  • Ammonyx DME
  • Bretol
  • CDA
  • Cetylethyldimethylammonium bromide
  • Dimethylethylhexadecylammonium bromide
  • Ethyl cetab
  • Radiol germicidal solution
  • Quaternium 17
  • N-Ethyl-N,N-dimethyl-N-hexadecylammonium bromide
  • Cetethyldimonium bromide
  • Zap-oglobin II

Work with Cetyldimethylethylammonium 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

Didecyl dimethyl ammonium bromide2390-68-379 % similar Didodecyldimethylammonium bromide3282-73-379 % similar Dimethyldioctadecylammonium bromide3700-67-279 % similar Dihexadecyldimethylammonium bromide70755-47-479 % similar Dimethyldioctadecylammonium chloride107-64-259 % similar Dodecyltrimethylammonium bromide1119-94-459 % similar Tetradecyltrimethylammonium bromide1119-97-759 % similar Octadecyltrimethylammonium bromide1120-02-159 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook