Basic information
- CAS
102476-69-7- Standard SMILES
CN1CCCC1CCCOC(=O)C(O)(c1ccccc1)c1ccccc1- InChIKey
CJFOGWRMHWZKCG-UHFFFAOYSA-N- Molecular formula
- C22H27NO3
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.19909372
Names & identifiers
- Preferred name
- Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester
- IUPAC
- 3-(1-methylpyrrolidin-2-yl)propyl 2-hydroxy-2,2-diphenylacetate
Names & synonyms
102476-69-7BENZILIC ACID, 3-(1-METHYL-2-PYRROLIDINYL)PROPYL ESTERRefChem:1078769BRL 4902-Pyrrolidinepropanol, 1-methyl-, benzilateBRN 03135934-21-00-00118 (Beilstein Handbook Reference)DTXSID609075863-(1-Methylpyrrolidin-2-yl)propyl hydroxy(diphenyl)acetate3-(1-Methylpyrrolidin-2-yl)propyl hydroxydi(phenyl)acetate
Database identifiers
- CAS
102476-69-7- PubChem CID
- 59356
- DTXSID
DTXSID60907586
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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