Basic information
- CAS
4339-97-3- Standard SMILES
CN(C)CCCOC(=O)C1(c2ccccc2)CCCC1- InChIKey
LQMVLFHNUXVCKV-UHFFFAOYSA-N- Molecular formula
- C17H25NO2
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.18852904
Names & identifiers
- Preferred name
- Cyclopentanecarboxylic acid, 1-phenyl-, 3-(dimethylamino)propyl ester
- IUPAC
- 3-(dimethylamino)propyl 1-phenylcyclopentane-1-carboxylate
- English name
- 3-(Dimethylamino)propyl=1-phenylcyclopentane-1-carboxylate
- Molecular formula
- C17H25NO2
- Molecular weight
- 275.39
Names & synonyms
4339-97-3BRN 2419371Cyclopentanecarboxylic acid, 1-phenyl-, 3-(dimethylamino)propyl ester1-Phenylcyclopentanecarboxylic acid 3-(dimethylamino)propyl esterDTXSID501958394-09-00-02113 (Beilstein Handbook Reference)RefChem:335946DTXCID401183303-(dimethylamino)propyl 1-phenylcyclopentane-1-carboxylate3-(Dimethylamino)propyl=1-phenylcyclopentane-1-carboxylate
Database identifiers
- CAS
4339-97-3- PubChem CID
- 199519
- DTXSID
DTXSID50195839- Nikkaji
- J48.255B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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