chempirical

Benzyltributylammonium chloride

C19H34ClNCAS 23616-79-7311.94 g/mol

Open in Covalent MOL file
N+Cl−
Quaternary ammonium

Properties

Molecular formula
C19H34ClN
Molar mass
311.94 g/mol
Exact mass
311.2380 Da
Melting point
157 °C
logP
2.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
11

Identifiers

CAS number
23616-79-7
SMILES
CCCC[N+](CCCC)(CCCC)Cc1ccccc1.[Cl-]
InChIKey
VJGNLOIQCWLBJR-UHFFFAOYSA-M
InChI
InChI=1S/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

8 names
  • Benzenemethanaminium, N,N,N-tributyl-, chloride (1:1)
  • Ammonium, benzyltributyl-, chloride
  • Benzenemethanaminium, N,N,N-tributyl-, chloride
  • Tributylbenzylammonium chloride
  • Tri-n-butylbenzylammonium chloride
  • Benzyltrin-butylammonium chloride
  • N,N,N-Tributyl-N-benzylammonium chloride
  • QBA 444

Work with Benzyltributylammonium 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

Benzyltributylammonium bromide25316-59-080 % similar Benzyltriethylammonium chloride56-37-161 % similar Cetalkonium chloride122-18-961 % similar Stearalkonium chloride122-19-061 % similar Benzyldodecyldimethylammonium chloride139-07-161 % similar Benzyldimethyltetradecylammonium chloride139-08-261 % similar Tetrabutylammonium chloride1112-67-054 % similar n-Butylbenzene104-51-852 % similar

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

Same formula

Tetradecylpyridinium chloride2785-54-8

Elsewhere

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