Basic information
- CAS
4544-14-3- Standard SMILES
O=C(OCC[NH+]1CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
MADQXQUXQNQNPF-UHFFFAOYSA-N- Molecular formula
- C20H24ClNO3
- Average molar mass
- 361.9 g/mol
- Monoisotopic mass
- 361.1444713
Names & identifiers
- Preferred name
- Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
- IUPAC
- 2-pyrrolidin-1-ium-1-ylethyl 2-hydroxy-2,2-diphenylacetate chloride
Names & synonyms
BENZILIC ACID, 2-(1-PYRROLIDINYL)ETHYL ESTER, HYDROCHLORIDE4544-14-3RefChem:10787672-(1-Pyrrolidinyl)ethyl benzilate hydrochlorideANC 66Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
Database identifiers
- CAS
4544-14-3- PubChem CID
- 20672
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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