chempirical

Tridodecylmethylammonium chloride

C37H78ClNCAS 7173-54-8572.49 g/mol

Open in Covalent MOL file
N+Cl−
Quaternary ammonium

Properties

Molecular formula
C37H78ClN
Molar mass
572.49 g/mol
Exact mass
571.5823 Da
logP
10.20Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
33

Identifiers

CAS number
7173-54-8
SMILES
CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.[Cl-]
InChIKey
SBHRWOBHKASWGU-UHFFFAOYSA-M
InChI
InChI=1S/C37H78N.ClH/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;/h5-37H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

8 names
  • 1-Dodecanaminium, N,N-didodecyl-N-methyl-, chloride (1:1)
  • Ammonium, tridodecylmethyl-, chloride
  • 1-Dodecanaminium, N,N-didodecyl-N-methyl-, chloride
  • Trilaurylmethylammonium chloride
  • Methyltridodecylammonium chloride
  • TDMAC
  • Arquad 312-85
  • N-Methyl-N,N,N-tridodecylammonium chloride

Work with Tridodecylmethylammonium 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

Trioctylmethylammonium chloride5137-55-3100 % similar Methyltributylammonium chloride56375-79-281 % similar Dimethyldioctadecylammonium chloride107-64-267 % similar Dodecyltrimethylammonium chloride112-00-567 % similar Cetrimonium chloride112-02-767 % similar Stearyltrimethylammonium chloride112-03-867 % similar Octyldecyldimethylammonium chloride32426-11-267 % similar Dilauryldimethylammonium chloride3401-74-967 % similar

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

Elsewhere

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