Basic information
- CAS
21505-34-0- Standard SMILES
CCCN(CCOC(=O)C(c1ccccc1)c1ccccc1)C1CCCCC1- InChIKey
LNXXYKIYUVESET-UHFFFAOYSA-N- Molecular formula
- C25H33NO2
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.2511293
Names & identifiers
- Preferred name
- Acetic acid, diphenyl-, 2-(cyclohexylpropylamino)ethyl ester
- IUPAC
- 2-[cyclohexyl(propyl)amino]ethyl 2,2-diphenylacetate
- English name
- Diphenylacetic acid 2-[(3-cyclohexylpropyl)amino]ethyl ester
- Molecular formula
- C25H33NO2
- Molecular weight
- 379.54
Names & synonyms
21505-34-0ACETIC ACID, DIPHENYL-, 2-(CYCLOHEXYLPROPYLAMINO)ETHYL ESTERBRN 2165068Diphenylacetic acid 2-(cyclohexylpropylamino)ethyl esterDTXSID20175845RefChem:316617DTXCID60983362-[cyclohexyl(propyl)amino]ethyl diphenylacetateDiphenylacetic acid 2-[(3-cyclohexylpropyl)amino]ethyl esterAcetic acid, diphenyl-, 2-(cyclohexylpropylamino)ethyl ester (8CI)
Database identifiers
- CAS
21505-34-0- PubChem CID
- 30669
- DTXSID
DTXSID20175845
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 505.869 · 505.869±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.072 · 1.072±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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