ChemSpider 2D Image | (1R,2S)-2-(Dibenzylamino)-1-(phenylethynyl)cyclohexanol | C28H29NO

(1R,2S)-2-(Dibenzylamino)-1-(phenylethynyl)cyclohexanol

  • Molecular FormulaC28H29NO
  • Average mass395.536 Da
  • Monoisotopic mass395.224915 Da
  • ChemSpider ID57832791

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-(Dibenzylamino)-1-(phenylethinyl)cyclohexanol [German] [ACD/IUPAC Name]
(1R,2S)-2-(Dibenzylamino)-1-(phenylethynyl)cyclohexanol [ACD/IUPAC Name]
(1R,2S)-2-(Dibenzylamino)-1-(phényléthynyl)cyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 2-[bis(phenylmethyl)amino]-1-(2-phenylethynyl)-, (1R,2S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 549.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 268.6±28.8 °C
Index of Refraction: 1.645
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 3136.34
ACD/KOC (pH 5.5): 5114.88
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 40265.74
ACD/KOC (pH 7.4): 65667.13
Polar Surface Area: 23 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 341.8±5.0 cm3

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