Basic information
- CAS
96067-89-9- Standard SMILES
O=C(OC(C[NH+]1CCCC1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
JZJXNRLNTVBJOU-UHFFFAOYSA-N- Molecular formula
- C26H28ClNO3
- Average molar mass
- 438 g/mol
- Monoisotopic mass
- 437.1757714
Names & identifiers
- Preferred name
- 1-Phenyl-2-(pyrrolidin-1-yl)ethyl hydroxy(diphenyl)acetate--hydrogen chloride (1/1)
- IUPAC
- (1-phenyl-2-pyrrolidin-1-ium-1-ylethyl) 2-hydroxy-2,2-diphenylacetate chloride
Names & synonyms
96067-89-9DTXSID609146741-Phenyl-2-(pyrrolidin-1-yl)ethyl hydroxy(diphenyl)acetate--hydrogen chloride (1/1)RefChem:1056308DTXCID101343662Benactizina N. 52Benactizina N. 52 [Italian]BENZILIC ACID, alpha-(1-PYRROLIDINYLMETHYL)BENZYL ESTER, HYDROCHLORIDE1-Pyrrolidineethanol, alpha-phenyl-, benzilate, hydrochloride
Database identifiers
- CAS
96067-89-9- PubChem CID
- 57010
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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