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

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzyltrimethylammonium hydroxide100-85-6Salt Benzyltrimethylammonium chloride56-93-9Salt Benzyltrimethylammonium iodide4525-46-6Salt Benzyltrimethylammonium dichloroiodate114971-52-7Salt Benzyltrimethylammonium tribromide111865-47-5Salt

Similar compounds

Benzyltriethylammonium bromide5197-95-557 % similar Benzyltributylammonium bromide25316-59-050 % similar Benzododecinium bromide7281-04-149 % similar Phenyltrimethylammonium bromide16056-11-444 % similar Benzyltriethylammonium hydroxide1836-42-642 % similar Benzyl triethylammonium chloride56-37-142 % similar Benzyltriphenylphosphonium bromide1449-46-340 % similar Benzyltripropylammonium chloride5197-87-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Butyl-3-methylpyridinium bromide26576-85-2 1-Butyl-4-methylpyridinium bromide65350-59-6

Elsewhere

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