Basic information
- CAS
21461-65-4- Standard SMILES
CN(CCOC(=O)C(c1ccccc1)c1ccccc1)C1CCCC1- InChIKey
NYGYKFAEMKJDJP-UHFFFAOYSA-N- Molecular formula
- C22H27NO2
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.2041791
Names & identifiers
- Preferred name
- Acetic acid, diphenyl-, 2-(cyclopentylmethylamino)ethyl ester
- IUPAC
- 2-[cyclopentyl(methyl)amino]ethyl 2,2-diphenylacetate
- English name
- Diphenylacetic acid 2-(cyclopentylmethylamino)ethyl ester
- Molecular formula
- C22H27NO2
- Molecular weight
- 337.46
Names & synonyms
21461-65-4ACETIC ACID, DIPHENYL-, 2-(CYCLOPENTYLMETHYLAMINO)ETHYL ESTERBRN 2154925Diphenylacetic acid 2-(cyclopentylmethylamino)ethyl esterDTXSID20175744N-Methyl-N-(beta-diphenylacetylhydroxyethyl)-cyclopentylamineRefChem:316619DTXCID80982352-[cyclopentyl(methyl)amino]ethyl diphenylacetateAcetic acid, diphenyl-, 2-(cyclopentylmethylamino)ethyl ester (8CI)
Database identifiers
- CAS
21461-65-4- PubChem CID
- 30642
- DTXSID
DTXSID20175744
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 468.503 · 468.503±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.105 · 1.105±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.376 · 8.376±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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