chempirical

Dioctyldimethylammonium chloride

C18H40ClNCAS 5538-94-3305.97 g/mol

Open in Covalent MOL file
N+Cl−
Quaternary ammonium

Properties

Molecular formula
C18H40ClN
Molar mass
305.97 g/mol
Exact mass
305.2849 Da
Melting point
75 °C
logP
2.79Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
14

Identifiers

CAS number
5538-94-3
SMILES
CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]
InChIKey
FARBQUXLIQOIDY-UHFFFAOYSA-M
InChI
InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

18 names · show all
  • 1-Octanaminium, N,N-dimethyl-N-octyl-, chloride (1:1)
  • KP 20
  • Ammonium, dimethyldioctyl-, chloride
  • 1-Octanaminium, N,N-dimethyl-N-octyl-, chloride
  • Dimethyldioctylammonium chloride
  • RC 5626
  • Bardac LF
  • HOE-S 2617
  • Dodigen 2617
  • Swanol CA 3080
  • Querton 28CL
  • Pentonium DO 50
  • Querton 28CL50
  • Bardac LF 80
  • LF 80
  • AQ 208
  • Bardac LF 18
  • KP 20 (quaternary compound)

Work with Dioctyldimethylammonium 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

Dimethyldioctadecylammonium chloride107-64-2100 % similar Octyldecyldimethylammonium chloride32426-11-2100 % similar Dilauryldimethylammonium chloride3401-74-9100 % similar Didecyldimethylammonium chloride7173-51-5100 % similar Mepiquat chloride24307-26-475 % similar Didecyl dimethyl ammonium bromide2390-68-374 % similar Didodecyldimethylammonium bromide3282-73-374 % similar Dimethyldioctadecylammonium bromide3700-67-274 % similar

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

Same formula

Octadecylammonium chloride1838-08-0

Elsewhere

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