chempirical

Cetylpyridinium bromide

C21H38BrNCAS 140-72-7384.45 g/mol

Open in Covalent MOL file
N+Br−

Properties

Molecular formula
C21H38BrN
Molar mass
384.45 g/mol
Exact mass
383.2188 Da
Melting point
64.5 °C
logP
3.46Crippen estimate
Polar surface area
3.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
15

Identifiers

CAS number
140-72-7
SMILES
CCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]
InChIKey
DVBJBNKEBPCGSY-UHFFFAOYSA-M
InChI
InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

22 names · show all
  • Hexadecylpyridine bromide
  • Cetapharm
  • Pyridinium, 1-hexadecyl-, bromide (1:1)
  • 1-Hexadecylpyridinium bromide
  • Pyridinium, 1-hexadecyl-, bromide
  • Pyridinium, 1-cetyl-, bromide
  • Cetazol
  • Fixanol C
  • Sterogenol
  • Bromocet
  • Seprisan
  • Nitrogenol
  • N-Cetylpyridinium bromide
  • N-Hexadecylpyridinium bromide
  • Morpan CBP
  • Acetoquat CPB
  • Hexadecylpyridinium bromide
  • 1-Cetylpyridinium bromide
  • Cetasol
  • TsPB
  • CPB
  • Cetazol 80

Work with Cetylpyridinium 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

Dodecylpyridinium bromide104-73-4100 % similar Octylpyridinium bromide2534-66-9100 % similar Dodecylpyridinium chloride104-74-578 % similar Cetylpyridinium chloride123-03-578 % similar Tetradecylpyridinium chloride2785-54-878 % similar Cetylpyridinium chloride monohydrate6004-24-670 % similar 1,1′-Diheptyl-4,4′-bipyridinium dibromide6159-05-369 % similar Butylpyridinium chloride1124-64-764 % similar

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

Same formula

Benzododecinium bromide7281-04-1

Elsewhere

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