Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride
Basic information
- CAS
63991-04-8- Standard SMILES
CC[NH+](CCCl)Cc1cccc(Cl)c1.[Cl-]- InChIKey
FHBBSBIIFABZMX-UHFFFAOYSA-N- Molecular formula
- C11H16Cl3N
- Average molar mass
- 268.6 g/mol
- Monoisotopic mass
- 267.034833
Names & identifiers
- Preferred name
- Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride
- IUPAC
- 2-chloroethyl-[(3-chlorophenyl)methyl]-ethylazanium chloride
Names & synonyms
BENZYLAMINE, m-CHLORO-N-(2-CHLOROETHYL)-N-ETHYL-, HYDROCHLORIDE63991-04-8RefChem:10794912-chloroethyl-[(3-chlorophenyl)methyl]-ethylazanium;chlorideDiethylamine, 2-chloro-N-(m-chlorobenzyl)-, hydrochloride3-Chloro-N-(2-chloroethyl)-N-ethylbenzylamine hydrochloridem-Chloro-N-(2-chloroethyl)-N-ethylbenzylamine hydrochloride
Database identifiers
- CAS
63991-04-8- PubChem CID
- 46220
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 152
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Compound notes
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