Benzylamine, N-(2-chloroethyl)-N-(4-methoxyphenoxyethyl)-, hydrochloride
Basic information
- CAS
63991-11-7- Standard SMILES
COc1ccc(OCC[NH+](CCCl)Cc2ccccc2)cc1.[Cl-]- InChIKey
XIPRKCKRTFFPII-UHFFFAOYSA-N- Molecular formula
- C18H23Cl2NO2
- Average molar mass
- 356.3 g/mol
- Monoisotopic mass
- 355.1105844
Names & identifiers
- Preferred name
- Benzylamine, N-(2-chloroethyl)-N-(4-methoxyphenoxyethyl)-, hydrochloride
- IUPAC
- benzyl-(2-chloroethyl)-[2-(4-methoxyphenoxy)ethyl]azanium chloride
Names & synonyms
BENZYLAMINE, N-(2-CHLOROETHYL)-N-(4-METHOXYPHENOXYETHYL)-, HYDROCHLORIDE63991-11-7RefChem:1079507N-(2-Chloroethyl)-N-(4-methoxyphenoxyethyl)benzylamine hydrochloride
Database identifiers
- CAS
63991-11-7- PubChem CID
- 46234
Properties
Computed structural properties
- Topological polar surface area
- 22.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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