chempirical

Methyltributylammonium chloride

C13H30ClNCAS 56375-79-2235.84 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
Melting point
108–110 °C
logP
0.84Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
9

Identifiers

CAS number
56375-79-2
SMILES
CCCC[N+](C)(CCCC)CCCC.[Cl-]
InChIKey
IPILPUZVTYHGIL-UHFFFAOYSA-M
InChI
InChI=1S/C13H30N.ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/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

5 names
  • 1-Butanaminium, N,N-dibutyl-N-methyl-, chloride (1:1)
  • 1-Butanaminium, N,N-dibutyl-N-methyl-, chloride
  • Tributylmethylammonium chloride
  • Aliquat 175
  • N-Methyl-N,N,N-tributylammonium chloride

Work with Methyltributylammonium 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 chloride5137-55-381 % similar Tridodecylmethylammonium chloride7173-54-881 % similar Tributylmethylammonium bromide37026-88-371 % similar 1-Butyl-1-methylpyrrolidinium bromide93457-69-368 % similar Tetrabutylammonium chloride1112-67-062 % similar Tetrapentylammonium chloride4965-17-752 % similar Caprylyltrimethylammonium chloride10108-86-852 % similar Dimethyldioctadecylammonium chloride107-64-252 % similar

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

Same formula

Decyltrimethylammonium chloride10108-87-9

Elsewhere

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