Basic information
- CAS
102597-03-5- Standard SMILES
CN1CCCC1CCOC(=O)C(c1ccccc1)c1ccccc1- InChIKey
PVSHEWUMRADDHZ-UHFFFAOYSA-N- Molecular formula
- C21H25NO2
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.18852904
Names & identifiers
- Preferred name
- Acetic acid, diphenyl-, 2-(1-methyl-2-pyrrolidinyl)ethyl ester
- IUPAC
- 2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylacetate
Names & synonyms
102597-03-5ACETIC ACID, DIPHENYL-, 2-(1-METHYL-2-PYRROLIDINYL)ETHYL ESTERRefChem:1075795BRL 373BRN 0274209Diphenylacetic acid 2-(1-methyl-2-pyrrolidinyl)ethyl esterDTXSID809079072-(1-Methylpyrrolidin-2-yl)ethyl diphenylacetate2-(1-Methylpyrrolidin-2-yl)ethyl diphenylacetatato(2-)
Database identifiers
- CAS
102597-03-5- PubChem CID
- 59679
- DTXSID
DTXSID80907907
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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