Basic information
- CAS
96067-96-8- Standard SMILES
O=C(OC(C[NH+]1CCOCC1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
QXMQWPFAKGQLQW-UHFFFAOYSA-N- Molecular formula
- C26H28ClNO4
- Average molar mass
- 454 g/mol
- Monoisotopic mass
- 453.1706861
Names & identifiers
- Preferred name
- Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride
- IUPAC
- (2-morpholin-4-ium-4-yl-1-phenylethyl) 2-hydroxy-2,2-diphenylacetate chloride
Names & synonyms
BENZILIC ACID, alpha-(MORPHOLINOMETHYL)BENZYL ESTER, HYDROCHLORIDE96067-96-8RefChem:1078774Benactizina N. 55 [Italian]Benactizina N. 554-Morpholineethanol, alpha-phenyl-, benzilate, hydrochloride
Database identifiers
- CAS
96067-96-8- PubChem CID
- 57012
Properties
Computed structural properties
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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