Benzylamine, N-(2-chloroethyl)-N-(2-ethylphenoxyethyl)-, hydrochloride
Basic information
- CAS
63991-08-2- Standard SMILES
CCc1ccccc1OCC[NH+](CCCl)Cc1ccccc1.[Cl-]- InChIKey
DSEYHMSMHVUVLX-UHFFFAOYSA-N- Molecular formula
- C19H25Cl2NO
- Average molar mass
- 354.3 g/mol
- Monoisotopic mass
- 353.1313198
Names & identifiers
- Preferred name
- Benzylamine, N-(2-chloroethyl)-N-(2-ethylphenoxyethyl)-, hydrochloride
- IUPAC
- benzyl-(2-chloroethyl)-[2-(2-ethylphenoxy)ethyl]azanium chloride
Names & synonyms
BENZYLAMINE, N-(2-CHLOROETHYL)-N-(2-ETHYLPHENOXYETHYL)-, HYDROCHLORIDE63991-08-2RefChem:1079504N-(2-Chloroethyl)-N-(2-(o-ethylphenoxy)ethyl)benzylamine hydrochloride
Database identifiers
- CAS
63991-08-2- PubChem CID
- 46228
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 281
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Compound notes
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