ChemSpider 2D Image | 2-(Diethylamino)ethyl (2S)-cyclohexyl(phenyl)acetate | C20H31NO2

2-(Diethylamino)ethyl (2S)-cyclohexyl(phenyl)acetate

  • Molecular FormulaC20H31NO2
  • Average mass317.466 Da
  • Monoisotopic mass317.235474 Da
  • ChemSpider ID32809827

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-Cyclohexyl(phényl)acétate de 2-(diéthylamino)éthyle [French] [ACD/IUPAC Name]
2-(Diethylamino)ethyl (2S)-cyclohexyl(phenyl)acetate [ACD/IUPAC Name]
2-(Diethylamino)ethyl-(2S)-cyclohexyl(phenyl)acetat [German] [ACD/IUPAC Name]
248939-83-5 [RN]
Benzeneacetic acid, α-cyclohexyl-, 2-(diethylamino)ethyl ester, (αS)- [ACD/Index Name]
1679-76-1 [RN]
Drofenine [INN]
UNII-4QWV355536

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3V21Q90077 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 417.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 124.6±12.6 °C
Index of Refraction: 1.520
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 5.89
ACD/KOC (pH 5.5): 17.33
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 94.74
ACD/KOC (pH 7.4): 278.60
Polar Surface Area: 30 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 311.8±3.0 cm3

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