ChemSpider 2D Image | (1R,2R,3S)-3-Amino-1,2-cyclohexanediol | C6H13NO2

(1R,2R,3S)-3-Amino-1,2-cyclohexanediol

  • Molecular FormulaC6H13NO2
  • Average mass131.173 Da
  • Monoisotopic mass131.094635 Da
  • ChemSpider ID32970692
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,2R,3S)-3-Amino-1,2-cyclohexandiol [German] [ACD/IUPAC Name]
(1R,2R,3S)-3-Amino-1,2-cyclohexanediol [ACD/IUPAC Name]
(1R,2R,3S)-3-Amino-1,2-cyclohexanediol [French] [ACD/IUPAC Name]
1,2-Cyclohexanediol, 3-amino-, (1R,2R,3S)- [ACD/Index Name]
(1R,2R,3S)-3-Aminocyclohexane-1,2-diol
780704-59-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 235.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 54.9±6.0 kJ/mol
Flash Point: 96.1±27.3 °C
Index of Refraction: 1.550
Molar Refractivity: 34.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -3.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 108.0±3.0 cm3

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