Basic information
- CAS
4339-96-2- Standard SMILES
CN(C)CCOC(=O)C1(c2ccccc2)CCCC1- InChIKey
VZAZOXVEMAUMLH-UHFFFAOYSA-N- Molecular formula
- C16H23NO2
- Average molar mass
- 261.36 g/mol
- Monoisotopic mass
- 261.17287898
Names & identifiers
- Preferred name
- Cyclopentanecarboxylic acid, 1-phenyl-, 2-(dimethylamino)ethyl ester
- IUPAC
- 2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate
- English name
- 2-(Dimethylamino)ethyl=1-phenylcyclopentane-1-carboxylate
- Molecular formula
- C16H23NO2
- Molecular weight
- 261.36
Names & synonyms
4339-96-2Cyclopentanecarboxylic acid, 1-phenyl-, 2-(dimethylamino)ethyl esterDTXSID90195838RefChem:1082686DTXCID301183292-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate2-(Dimethylamino)ethyl=1-phenylcyclopentane-1-carboxylate2-(dimethylamino)ethyl 1-phenylcyclopentanecarboxylateBRN 24192151-Phenylcyclopentanecarboxylic acid 2-(dimethylamino)ethyl esterChemDiv3_014874Oprea1_706357
Show more names
Oprea1_720989CHEMBL1626203HMS1515E02SMSF0010150STK722323AKOS001617552CB01191NCGC00245614-01
Database identifiers
- CAS
4339-96-2- PubChem CID
- 199518
- DTXSID
DTXSID90195838- ChEMBL
CHEMBL1626203- Nikkaji
- J48.254D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 114 · 114-115 °C(Press: 0.15 Torr)
- Density
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- pka
- 8.25 · 8.25±0.28(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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