Basic information
- CAS
55066-60-9- Standard SMILES
O=C(OCCC[NH+]1CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
WVCOAAVBRUYWPP-UHFFFAOYSA-N- Molecular formula
- C21H26ClNO3
- Average molar mass
- 375.9 g/mol
- Monoisotopic mass
- 375.1601214
Names & identifiers
- Preferred name
- Benzilic acid, 3-(1-pyrrolidinyl)propyl ester, hydrochloride
- IUPAC
- 3-pyrrolidin-1-ium-1-ylpropyl 2-hydroxy-2,2-diphenylacetate chloride
Names & synonyms
55066-60-9BENZILIC ACID, 3-(1-PYRROLIDINYL)PROPYL ESTER, HYDROCHLORIDERefChem:10787703-(1-Pyrrolidinyl)propyl benzilate hydrochloride
Database identifiers
- CAS
55066-60-9- PubChem CID
- 41312
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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