chempirical

Benzyltriethylammonium bromide

C13H22BrNCAS 5197-95-5272.23 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C13H22BrN
Molar mass
272.23 g/mol
Exact mass
271.0936 Da
Melting point
195 °C (decomposes)
logP
0.07Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
5197-95-5
SMILES
CC[N+](CC)(CC)Cc1ccccc1.[Br-]
InChIKey
CHQVQXZFZHACQQ-UHFFFAOYSA-M
InChI
InChI=1S/C13H22N.BrH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

4 names
  • Benzenemethanaminium, N,N,N-triethyl-, bromide (1:1)
  • Ammonium, benzyltriethyl-, bromide
  • Benzenemethanaminium, N,N,N-triethyl-, bromide
  • Triethylbenzylammonium bromide

Work with Benzyltriethylammonium 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

Benzyltriethylammonium hydroxide1836-42-677 % similar Benzyltriethylammonium chloride56-37-177 % similar Benzyltriethylammonium tetrafluoroborate77794-93-569 % similar Benzyltributylammonium bromide25316-59-061 % similar Benzyltrimethylammonium bromide5350-41-457 % similar Benzyltributylammonium chloride23616-79-747 % similar Benzododecinium bromide7281-04-146 % similar Tetraethylammonium bromide71-91-046 % similar

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

Same formula

Octylpyridinium bromide2534-66-9

Elsewhere

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