chempirical

Cetyltrimethylammonium hydrogen sulfate

C19H43NO4SCAS 68214-07-3381.62 g/mol

Open in Covalent MOL file
N+OSOO−OH
Quaternary ammonium

Properties

Molecular formula
C19H43NO4S
Molar mass
381.62 g/mol
Exact mass
381.2913 Da
logP
5.18Crippen estimate
Polar surface area
77.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
15

Identifiers

CAS number
68214-07-3
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.O=S(=O)([O-])O
InChIKey
UCRJJNVFJGKYQT-UHFFFAOYSA-M
InChI
InChI=1S/C19H42N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5(2,3)4/h5-19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1

Weigh it out

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

Names and synonyms

4 names
  • 1-Hexadecanaminium, N,N,N-trimethyl-, sulfate (1:1)
  • Hexadecyltrimethylammonium hydrogen sulfate
  • Hexadecyltrimethylammonium bisulfate
  • CTAHSO4

Work with Cetyltrimethylammonium hydrogen sulfate

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

Trioctylmethylammonium bisulfate59158-14-476 % similar Tetrahexylammonium hydrogen sulfate32503-34-775 % similar Tetrabutylammonium hydrogen sulfate32503-27-864 % similar Behenyltrimethylammonium methosulfate81646-13-158 % similar Tetrapropylammonium hydrogen sulfate56211-70-258 % similar Caprylyltrimethylammonium chloride10108-86-853 % similar Decyltrimethylammonium chloride10108-87-953 % similar Dodecyltrimethylammonium bromide1119-94-453 % similar

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

Elsewhere

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