chempirical

Benzyltriethylammonium chloride

C13H22ClNCAS 56-37-1227.78 g/mol

Open in Covalent MOL file
N+Cl−
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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

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

11 names
  • 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 Benzyltriethylammonium 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

Similar compounds

Benzyltriethylammonium hydroxide1836-42-677 % similar Benzyltriethylammonium bromide5197-95-577 % similar Benzyltriethylammonium tetrafluoroborate77794-93-569 % 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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook