chempirical

Decyltrimethylammonium chloride

C13H30ClNCAS 10108-87-9235.84 g/mol

Open in Covalent MOL file
N+Cl−
Quaternary ammonium

Properties

Molecular formula
C13H30ClN
Molar mass
235.84 g/mol
Exact mass
235.2067 Da
logP
0.84Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
9

Identifiers

CAS number
10108-87-9
SMILES
CCCCCCCCCC[N+](C)(C)C.[Cl-]
InChIKey
HXWGXXDEYMNGCT-UHFFFAOYSA-M
InChI
InChI=1S/C13H30N.ClH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

7 names
  • 1-Decanaminium, N,N,N-trimethyl-, chloride (1:1)
  • Ammonium, decyltrimethyl-, chloride
  • 1-Decanaminium, N,N,N-trimethyl-, chloride
  • Capryltrimethylammonium chloride
  • n-Decyltrimethylammonium chloride
  • Trimethylcaprylammonium chloride
  • Trimethyldecylammonium chloride

Work with Decyltrimethylammonium 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

Caprylyltrimethylammonium chloride10108-86-8100 % similar Dodecyltrimethylammonium chloride112-00-5100 % similar Cetrimonium chloride112-02-7100 % similar Stearyltrimethylammonium chloride112-03-8100 % similar Tetradecyltrimethylammonium chloride4574-04-3100 % similar Dodecyltrimethylammonium bromide1119-94-474 % similar Tetradecyltrimethylammonium bromide1119-97-774 % similar Octadecyltrimethylammonium bromide1120-02-174 % similar

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

Same formula

Methyltributylammonium chloride56375-79-2

Elsewhere

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