Basic information
- CAS
63991-10-6- Standard SMILES
COc1ccccc1OCC[NH+](CCCl)Cc1ccccc1.[Cl-]- InChIKey
GLHXHBYDPQRLGS-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-(2-methoxyphenoxyethyl)-, hydrochloride
- IUPAC
- benzyl-(2-chloroethyl)-[2-(2-methoxyphenoxy)ethyl]azanium chloride
Names & synonyms
63991-10-6BENZYLAMINE, N-(2-CHLOROETHYL)-N-(2-METHOXYPHENOXYETHYL)-, HYDROCHLORIDERefChem:10795052-Methoxyphenoxyethylbenzyl-beta-chloroethylamine hydrochlorideN-(2-Chloroethyl)-N-(2-(o-methoxyphenoxy)ethyl)benzylamine hydrochloride
Database identifiers
- CAS
63991-10-6- PubChem CID
- 46232
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
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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