chempirical

Benzyltributylammonium bromide

C19H34BrNCAS 25316-59-0356.39 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C19H34BrN
Molar mass
356.39 g/mol
Exact mass
355.1875 Da
Melting point
174.5–175 °C
logP
2.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
11

Identifiers

CAS number
25316-59-0
SMILES
CCCC[N+](CCCC)(CCCC)Cc1ccccc1.[Br-]
InChIKey
UDYGXWPMSJPFDG-UHFFFAOYSA-M
InChI
InChI=1S/C19H34N.BrH/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

5 names
  • Benzenemethanaminium, N,N,N-tributyl-, bromide (1:1)
  • Ammonium, benzyltributyl-, bromide
  • Benzenemethanaminium, N,N,N-tributyl-, bromide
  • Tributylbenzylammonium bromide
  • Benzyltri-n-butylammonium bromide

Work with Benzyltributylammonium bromide

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 chloride23616-79-780 % similar Benzyltriethylammonium bromide5197-95-561 % similar Benzododecinium bromide7281-04-161 % similar Tetrabutylammonium bromide1643-19-254 % similar n-Butylbenzene104-51-852 % similar Benzyltrimethylammonium bromide5350-41-450 % similar Cetalkonium chloride122-18-949 % similar Stearalkonium chloride122-19-049 % similar

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

Elsewhere

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