Basic information
- CAS
63990-73-8- Standard SMILES
CC(=O)c1ccccc1OCC(O)C[NH+]1CCC(O)(c2ccccc2)CC1.[Cl-]- InChIKey
WDTNZRVRIDKXCF-UHFFFAOYSA-N- Molecular formula
- C22H28ClNO4
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1706861
Names & identifiers
- Preferred name
- Acetophenone, 2'-((2-hydroxy-3-(4-hydroxy-4-phenylpiperidino))propoxy)-, hydrochloride
- IUPAC
- 1-[2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-ium-1-yl)propoxy]phenyl]ethanone chloride
Names & synonyms
Acetophenone, 2'-((2-hydroxy-3-(4-hydroxy-4-phenylpiperidino))propoxy)-, hydrochloride2'-((2-Hydroxy-3-(4-hydroxy-4-phenylpiperidino))propoxy)acetophenone hydrochloride63990-73-8RefChem:316873
Database identifiers
- CAS
63990-73-8- PubChem CID
- 46185
Properties
Computed structural properties
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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