Benzylamine, p-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride

HCID 46222

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Basic information

CAS: 63991-05-9
Standard SMILES: CC[NH+](CCCl)Cc1ccc(Cl)cc1.[Cl-]
InChIKey: OWEFINCUVGRIGI-UHFFFAOYSA-N
Molecular formula: C11H16Cl3N
Average molar mass: 268.6 g/mol
Monoisotopic mass: 267.034833

Names & identifiers

Preferred name: Benzylamine, p-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride
IUPAC: 2-chloroethyl-[(4-chlorophenyl)methyl]-ethylazanium chloride

Names & synonyms

Diethylamine, 2-chloro-N-(4-chlorobenzyl)-, hydrochloride63991-05-9BENZYLAMINE, p-CHLORO-N-(2-CHLOROETHYL)-N-ETHYL-, HYDROCHLORIDE4-Chloro-N-(2-chloroethyl)-N-ethylbenzylamine hydrochloridep-Chloro-N-(2-chloroethyl)-N-ethylbenzylamine hydrochlorideNSC 11467RefChem:328842

Database identifiers

CAS: 63991-05-9
PubChem CID: 46222

Properties

Computed structural properties

Topological polar surface area: 4.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 144

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