ChemSpider 2D Image | (1R,2S)-2-[(Dimethylamino)methyl]cyclohexyl benzoate | C16H23NO2

(1R,2S)-2-[(Dimethylamino)methyl]cyclohexyl benzoate

  • Molecular FormulaC16H23NO2
  • Average mass261.359 Da
  • Monoisotopic mass261.172882 Da
  • ChemSpider ID21502768
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,2S)-2-[(Dimethylamino)methyl]cyclohexyl benzoate [ACD/IUPAC Name]
(1R,2S)-2-[(Dimethylamino)methyl]cyclohexyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (1R,2S)-2-[(diméthylamino)méthyl]cyclohexyle [French] [ACD/IUPAC Name]
Cyclohexanol, 2-[(dimethylamino)methyl]-, benzoate (ester), (1R,2S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 349.0±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 115.7±11.3 °C
Index of Refraction: 1.535
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.18
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 2.74
ACD/KOC (pH 7.4): 17.46
Polar Surface Area: 30 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 246.3±5.0 cm3

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