Basic information
- CAS
63768-16-1- Standard SMILES
O=C(OCCN[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
BMRZXTWWJWFRFQ-UHFFFAOYSA-N- Molecular formula
- C21H27ClN2O3
- Average molar mass
- 390.9 g/mol
- Monoisotopic mass
- 390.1710204
Names & identifiers
- Preferred name
- Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride
- IUPAC
- 2-(piperidin-1-ium-1-ylamino)ethyl 2-hydroxy-2,2-diphenylacetate chloride
Names & synonyms
DPX-8N-Piperidinoaminoethyl benzylate hydrochlorideBENZILIC ACID, 2-(PIPERIDINOAMINO)ETHYL ESTER, HYDROCHLORIDE63768-16-1RefChem:325752
Database identifiers
- CAS
63768-16-1- PubChem CID
- 44766
Properties
Computed structural properties
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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