Phenyltrimethylammonium chloride

C₉H₁₄ClNCAS 138-24-9171.67 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₉H₁₄ClN
Molar mass: 171.67 g/mol
Exact mass: 171.0815 Da
Melting point: 220–221 °C
logP: -1.11Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, P501

Identifiers

CAS number

138-24-9

SMILES

C[N+](C)(C)c1ccccc1.[Cl-]

InChIKey

MQAYPFVXSPHGJM-UHFFFAOYSA-M

InChI

InChI=1S/C9H14N.ClH/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

8 names

Benzenaminium, N,N,N-trimethyl-, chloride (1:1)
Ammonium, trimethylphenyl-, chloride
Trimethylphenylammonium chloride
Benzenaminium, N,N,N-trimethyl-, chloride
Trimethylanilinium chloride
Ammonyx 200
N,N,N-Trimethylanilinium chloride
N,N,N-Trimethylphenylammonium chloride

Work with Phenyltrimethylammonium chloride

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 hydroxide1899-02-1Salt Phenyltrimethylammonium bromide16056-11-4Salt Trimethylphenylammonium tribromide4207-56-1Salt

Similar compounds

Benzyltrimethylammonium chloride56-93-944 % similar Methyltriphenylphosphonium chloride1031-15-838 % similar Diphenyliodonium chloride1483-72-338 % similar Tetraphenylphosphonium chloride2001-45-838 % similar Triphenylsulfonium chloride4270-70-638 % similar Tetraphenylarsonium chloride507-28-838 % similar Benzyl triethylammonium chloride56-37-137 % similar Benzyltributylammonium chloride23616-79-736 % similar

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

Same formula

Butylpyridinium chloride1124-64-7 β-Methylbenzeneethanamine hydrochloride20388-87-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook