ChemSpider 2D Image | 3-{[(1R,2S)-1-Hydroxy-1-phenyl-2-propanyl]amino}-5,5-dimethyl-2-cyclohexen-1-one | C17H23NO2

3-{[(1R,2S)-1-Hydroxy-1-phenyl-2-propanyl]amino}-5,5-dimethyl-2-cyclohexen-1-one

  • Molecular FormulaC17H23NO2
  • Average mass273.370 Da
  • Monoisotopic mass273.172882 Da
  • ChemSpider ID30657695

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Cyclohexen-1-one, 3-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]-5,5-dimethyl- [ACD/Index Name]
3-{[(1R,2S)-1-Hydroxy-1-phenyl-2-propanyl]amino}-5,5-dimethyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
3-{[(1R,2S)-1-Hydroxy-1-phenyl-2-propanyl]amino}-5,5-dimethyl-2-cyclohexen-1-one [ACD/IUPAC Name]
3-{[(1R,2S)-1-Hydroxy-1-phényl-2-propanyl]amino}-5,5-diméthyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 393.9±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 192.0±25.1 °C
Index of Refraction: 1.562
Molar Refractivity: 80.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.36
ACD/KOC (pH 5.5): 561.66
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.77
ACD/KOC (pH 7.4): 610.86
Polar Surface Area: 49 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 248.6±5.0 cm3

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