ChemSpider 2D Image | (3S)-(2,2,3,6,6,7,7-~2~H_7_)Quinuclidin-3-ol | C7H6D7NO

(3S)-(2,2,3,6,6,7,7-2H7)Quinuclidin-3-ol

  • Molecular FormulaC7H6D7NO
  • Average mass134.227 Da
  • Monoisotopic mass134.143646 Da
  • ChemSpider ID58785399

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S)-(2,2,3,6,6,7,7-2H7)Chinuclidin-3-ol [German] [ACD/IUPAC Name]
(3S)-(2,2,3,6,6,7,7-2H7)Quinuclidin-3-ol [ACD/IUPAC Name]
(3S)-(2,2,3,6,6,7,7-2H7)Quinuclidin-3-ol [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octan-2,2,3,6,6,7,7-d7-3-ol, (3S)- [ACD/Index Name]
(?)-3-Quinuclidinol-2,2,3,6,6,7,7-d7
1-Azabiciclo[2,2,2]octan-3-ol
3-Hydroxyquinuclidine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 206.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.5±6.0 kJ/mol
Flash Point: 97.7±21.3 °C
Index of Refraction: 1.549
Molar Refractivity: 35.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -2.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 23 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 112.3±5.0 cm3

Click to predict properties on the Chemicalize site


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