chempirical

N-Benzylbis(2-chloroethyl)amine hydrochloride

C11H16Cl3NCAS 10429-82-0268.61 g/mol

Open in Covalent MOL file
HClClNCl
Alkyl halideTertiary amine

Properties

Molecular formula
C11H16Cl3N
Molar mass
268.61 g/mol
Exact mass
267.0348 Da
Melting point
148–150 °C
logP
3.39Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Identifiers

CAS number
10429-82-0
SMILES
Cl.ClCCN(CCCl)Cc1ccccc1
InChIKey
AZRWNJFEUSHORT-UHFFFAOYSA-N
InChI
InChI=1S/C11H15Cl2N.ClH/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzenemethanamine, N,N-bis(2-chloroethyl)-, hydrochloride (1:1)
  • Benzylamine, N,N-bis(2-chloroethyl)-, hydrochloride
  • Benzenemethanamine, N,N-bis(2-chloroethyl)-, hydrochloride
  • Benzylbis(2-chloroethyl)amine hydrochloride

Work with N-Benzylbis(2-chloroethyl)amine hydrochloride

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

N-(2-Chloroethyl)dibenzylamine hydrochloride55-43-692 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-562 % similar 4-Benzylpiperazine hydrochloride110475-31-561 % similar Benzylpiperazine dihydrochloride5321-63-161 % similar 1-Methyl-4-(phenylmethyl)piperazine hydrochloride (1:1)374898-00-759 % similar 4-Amino-1-benzylpiperidine dihydrochloride1205-72-756 % similar 1-Benzylpiperidine2905-56-855 % similar Tribenzylamine620-40-654 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook