chempirical

Dihexadecyldimethylammonium bromide

C34H72BrNCAS 70755-47-4574.86 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C34H72BrN
Molar mass
574.86 g/mol
Exact mass
573.4848 Da
Melting point
159–162 °C
logP
9.03Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
30

Identifiers

CAS number
70755-47-4
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]
InChIKey
VIXPKJNAOIWFMW-UHFFFAOYSA-M
InChI
InChI=1S/C34H72N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;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-Hexadecanaminium, N-hexadecyl-N,N-dimethyl-, bromide (1:1)
  • 1-Hexadecanaminium, N-hexadecyl-N,N-dimethyl-, bromide
  • Dimethyldihexadecylammonium bromide
  • Di-n-hexadecyldimethylammonium bromide
  • Dicetyldimethylammonium bromide
  • Dipalmityldimethylammonium bromide
  • Dicetyldimonium bromide
  • Dimethyldipalmitylammonium bromide
  • Konstanta A
  • Bis(hexadecyl) dimethyl ammonium bromide

Work with Dihexadecyldimethylammonium 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 bromide2390-68-3100 % similar Didodecyldimethylammonium bromide3282-73-3100 % similar Dimethyldioctadecylammonium bromide3700-67-2100 % similar Cetyldimethylethylammonium bromide124-03-879 % similar Dimethyldioctadecylammonium chloride107-64-274 % similar Octyldecyldimethylammonium chloride32426-11-274 % similar Dilauryldimethylammonium chloride3401-74-974 % similar Dioctyldimethylammonium chloride5538-94-374 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook