chempirical

Cetylpyridinium chloride

C21H38ClNCAS 123-03-5339.99 g/mol

Open in Covalent MOL file
N+Cl−

Properties

Molecular formula
C21H38ClN
Molar mass
339.99 g/mol
Exact mass
339.2693 Da
Density
0.83 g/mL
Melting point
80 °C
logP
3.46Crippen estimate
Polar surface area
3.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
15

Identifiers

CAS number
123-03-5
SMILES
CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]
InChIKey
YMKDRGPMQRFJGP-UHFFFAOYSA-M
InChI
InChI=1S/C21H38N.ClH/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 and density.

Names and synonyms

42 names · show all
  • Pyridinium, 1-hexadecyl-, chloride (1:1)
  • 1-Hexadecylpyridinium chloride
  • Pyridinium, 1-hexadecyl-, chloride
  • Cepacol chloride
  • Cetamium
  • N-Cetylpyridinium chloride
  • n-Hexadecylpyridinium chloride
  • Hexadecylpyridinium chloride
  • Pyrisept
  • Ammonyx CPC
  • Ceprim
  • Aktivex
  • Biosept
  • 1-Cetylpyridinium chloride
  • Quaternario CPC
  • Acetoquat CPC
  • Intexsan CPC
  • Ceepryn chloride
  • Pristacin
  • 1-Palmitylpyridinium chloride
  • Cetafilm
  • CPC
  • Merocet
  • Merothol
  • Ipanol
  • 1-n-Hexadecanepyridinium chloride
  • Newkalgen B 651P
  • Pionin B 651P
  • CPC (onium compound)
  • Dobendan
  • Cepacol
  • Medilave
  • Cecure
  • Halset
  • NB 401
  • NB 002
  • TsPKh
  • NB 003
  • Septolete
  • N-Cetylpyridium chloride
  • Ronacare CPC
  • C 9002

Work with Cetylpyridinium chloride

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

Tetradecylpyridinium chloride2785-54-8100 % similar Cetylpyridinium chloride monohydrate6004-24-689 % similar Butylpyridinium chloride1124-64-784 % similar Dodecylpyridinium bromide104-73-478 % similar Cetylpyridinium bromide140-72-778 % similar Octylpyridinium bromide2534-66-978 % similar 3-Methyl-N-butylpyridinium chloride125652-55-354 % similar N-Butyl-4-methylpyridinium chloride112400-86-953 % similar

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

Same formula

Benzyldodecyldimethylammonium chloride139-07-1

Elsewhere

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