Basic information
- CAS
67195-44-2- Standard SMILES
COc1ccc(C[NH+](CCCl)Cc2ccccc2)cc1.[Cl-]- InChIKey
YPKVHVZOIMESIB-UHFFFAOYSA-N- Molecular formula
- C17H21Cl2NO
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 325.1000197
Names & identifiers
- Preferred name
- Dibenzylamine, N-(2-chloroethyl)-4-methoxy-, hydrochloride
- IUPAC
- benzyl-(2-chloroethyl)-[(4-methoxyphenyl)methyl]azanium chloride
Names & synonyms
DIBENZYLAMINE, N-(2-CHLOROETHYL)-4-METHOXY-, HYDROCHLORIDE67195-44-2RefChem:1083374N-(2-Chloroethyl)-4-methoxydibenzylamine hydrochloride
Database identifiers
- CAS
67195-44-2- PubChem CID
- 49432
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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