chempirical

Benzyltrimethylammonium bromide

C10H16BrNCAS 5350-41-4230.15 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C10H16BrN
Molar mass
230.15 g/mol
Exact mass
229.0466 Da
Melting point
230–232 °C
logP
-1.10Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
5350-41-4
SMILES
C[N+](C)(C)Cc1ccccc1.[Br-]
InChIKey
UUZYBYIOAZTMGC-UHFFFAOYSA-M
InChI
InChI=1S/C10H16N.BrH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1

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Names and synonyms

6 names
  • Benzenemethanaminium, N,N,N-trimethyl-, bromide (1:1)
  • Ammonium, benzyltrimethyl-, bromide
  • Benzenemethanaminium, N,N,N-trimethyl-, bromide
  • Trimethylbenzylammonium bromide
  • N-Benzyl-N,N,N-trimethylammonium bromide
  • N,N,N-Trimethyl-N-benzylammonium bromide

Work with Benzyltrimethylammonium 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

Benzyltrimethylammonium hydroxide100-85-675 % similar Benzyltrimethylammonium iodide4525-46-675 % similar Benzyltrimethylammonium chloride56-93-975 % similar Benzyltrimethylammonium tribromide111865-47-567 % similar Benzyltrimethylammonium dichloroiodate114971-52-767 % similar Benzyltriethylammonium bromide5197-95-557 % similar Benzyltributylammonium bromide25316-59-050 % similar Benzododecinium bromide7281-04-149 % similar

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

Elsewhere

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