Benzyltrimethylammonium chloride

C₁₀H₁₆ClNCAS 56-93-9185.69 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₀H₁₆ClN
Molar mass: 185.69 g/mol
Exact mass: 185.0971 Da
Density: 1.07 g/mL (at 20 °C)
Melting point: 243 °C
Water solubility: ≥ 100 g/L (18.5 °C)
logP: -1.10Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H301+H311 Toxic if swallowed or in contact with skin36.3% of notifiers
H301 Toxic if swallowed90.9% of notifiers
H311 Toxic in contact with skin76.4% of notifiers
H315 Causes skin irritation16.5% of notifiers
H319 Causes serious eye irritation16.5% of notifiers
H332 Harmful if inhaled79.4% of notifiers
H341 Suspected of causing genetic defects76.7% of notifiers
H412 Harmful to aquatic life with long lasting effects76.1% of notifiers

Aggregated from 339 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501

Identifiers

CAS number

56-93-9

SMILES

C[N+](C)(C)Cc1ccccc1.[Cl-]

InChIKey

KXHPPCXNWTUNSB-UHFFFAOYSA-M

InChI

InChI=1S/C10H16N.ClH/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 and density.

Names and synonyms

12 names

Benzenemethanaminium, N,N,N-trimethyl-, chloride (1:1)
Ammonium, benzyltrimethyl-, chloride
Benzenemethanaminium, N,N,N-trimethyl-, chloride
Trimethylbenzylammonium chloride
BTM
TMBAC
Hipochem migrator J
Variquat B 200
BTMAC 100
Marcor 716
BTMAC 50
Amberlite IRC 178(cl)

Work with Benzyltrimethylammonium 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.

Benzyltrimethylammonium hydroxide100-85-6Salt Benzyltrimethylammonium bromide5350-41-4Salt Benzyltrimethylammonium iodide4525-46-6Salt Benzyltrimethylammonium dichloroiodate114971-52-7Salt Benzyltrimethylammonium tribromide111865-47-5Salt

Similar compounds

Benzyl triethylammonium chloride56-37-157 % similar Benzyltripropylammonium chloride5197-87-553 % similar Benzyltributylammonium chloride23616-79-750 % similar Cetalkonium chloride122-18-949 % similar Stearalkonium chloride122-19-049 % similar Benzyldodecyldimethylammonium chloride139-07-149 % similar Benzyldimethyltetradecylammonium chloride139-08-249 % similar Benzalkonium chloride8001-54-549 % similar

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

Same formula

N,N-Dimethylphenethylamine hydrochloride10275-21-5 N-Butyl-4-methylpyridinium chloride112400-86-9 Phentermine hydrochloride1197-21-3 3-Methyl-N-butylpyridinium chloride125652-55-3 N,α-Dimethylphenethylamine hydrochloride300-42-5

Elsewhere

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