Basic information
- CAS
21461-69-8- Standard SMILES
CCN(CCOC(=O)C(c1ccccc1)c1ccccc1)C1CCCC1- InChIKey
JERLKKGYXRZKQF-UHFFFAOYSA-N- Molecular formula
- C23H29NO2
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.21982917
Names & identifiers
- Preferred name
- Acetic acid, diphenyl-, 2-(cyclopentylethylamino)ethyl ester
- IUPAC
- 2-[cyclopentyl(ethyl)amino]ethyl 2,2-diphenylacetate
- English name
- Diphenylacetic acid 2-[(2-cyclopentylethyl)amino]ethyl ester
- Molecular formula
- C23H29NO2
- Molecular weight
- 351.48
Names & synonyms
ACETIC ACID, DIPHENYL-, 2-(CYCLOPENTYLETHYLAMINO)ETHYL ESTERBRN 2158064Diphenylacetic acid 2-(cyclopentylethylamino)ethyl ester21461-69-8DTXSID80175745RefChem:316618DTXCID30982362-[cyclopentyl(ethyl)amino]ethyl diphenylacetateDiphenylacetic acid 2-[(2-cyclopentylethyl)amino]ethyl esterAcetic acid, diphenyl-, 2-(cyclopentylethylamino)ethyl ester (8CI)
Database identifiers
- CAS
21461-69-8- PubChem CID
- 30643
- DTXSID
DTXSID80175745
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 480.583 · 480.583±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.093 · 1.093±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.455 · 8.455±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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