Benzyl triethylammonium chloride

C₁₃H₂₂ClNCAS 56-37-1227.78 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₃H₂₂ClN
Molar mass: 227.78 g/mol
Exact mass: 227.1441 Da
Density: 1.07 g/mL (at 20 °C)
Melting point: 120 °C
logP: 0.07Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed82.7% of notifiers
H315 Causes skin irritation19.7% of notifiers
H317 May cause an allergic skin reaction79.2% of notifiers
H319 Causes serious eye irritation19.2% of notifiers
H335 May cause respiratory irritation18.1% of notifiers
H412 Harmful to aquatic life with long lasting effects78.9% of notifiers

Aggregated from 375 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

56-37-1

SMILES

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

InChIKey

HTZCNXWZYVXIMZ-UHFFFAOYSA-M

InChI

InChI=1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;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

Benzyltriethylammonium chloride
Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1)
Ammonium, benzyltriethyl-, chloride
Benzenemethanaminium, N,N,N-triethyl-, chloride
Triethylbenzylammonium chloride
TEBAC
TEBA
N,N,N-Triethyl-N-benzylammonium chloride
BAC-TE
P 964
N-Benzyl-N,N-diethylethanaminium chloride
QBA 222

Work with Benzyl triethylammonium 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.

Benzyltriethylammonium hydroxide1836-42-6Salt Benzyltriethylammonium bromide5197-95-5Salt Benzyltriethylammonium tetrafluoroborate77794-93-5Salt

Similar compounds

Benzyltripropylammonium chloride5197-87-566 % similar Benzyltributylammonium chloride23616-79-761 % similar Benzyltrimethylammonium chloride56-93-957 % similar Benzyltributylammonium bromide25316-59-047 % similar Cetalkonium chloride122-18-946 % similar Stearalkonium chloride122-19-046 % similar Benzyldodecyldimethylammonium chloride139-07-146 % similar Benzyldimethyltetradecylammonium chloride139-08-246 % similar

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

Elsewhere

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