Phenyltrimethylammonium bromide

C9H14BrNCAS 16056-11-4216.12 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C9H14BrN
Molar mass
216.12 g/mol
Exact mass
215.0310 Da
Melting point
214 °C
logP
-1.11Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
16056-11-4
SMILES
C[N+](C)(C)c1ccccc1.[Br-]
InChIKey
GNMJFQWRASXXMS-UHFFFAOYSA-M
InChI
InChI=1S/C9H14N.BrH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,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
  • Benzenaminium, N,N,N-trimethyl-, bromide (1:1)
  • Ammonium, trimethylphenyl-, bromide
  • Benzenaminium, N,N,N-trimethyl-, bromide
  • Trimethylphenylammonium bromide
  • N,N,N-Trimethylanilinium bromide

Work with Phenyltrimethylammonium 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.

Trimethylphenylammonium iodide98-04-4Salt Trimethylphenylammonium tribromide4207-56-1Salt Trimethylphenylammonium hydroxide1899-02-1Salt Phenyltrimethylammonium chloride138-24-9Salt

Similar compounds

Benzyltrimethylammonium bromide5350-41-444 % similar Neostigmine bromide114-80-738 % similar Methyltriphenylphosphonium bromide1779-49-338 % similar Diphenyliodonium bromide1483-73-438 % similar Tetraphenylphosphonium bromide2751-90-838 % similar Benzyltriethylammonium bromide5197-95-537 % similar Benzyltributylammonium bromide25316-59-036 % similar Benzododecinium bromide7281-04-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Butylpyridinium bromide874-80-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook