ChemSpider 2D Image | (1R,9S)-9-Aminotricyclo[6.2.1.0~2,7~]undeca-2,4,6-triene-4,5-diol | C11H13NO2

(1R,9S)-9-Aminotricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-diol

  • Molecular FormulaC11H13NO2
  • Average mass191.226 Da
  • Monoisotopic mass191.094635 Da
  • ChemSpider ID58820509

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,9S)-9-Aminotricyclo[6.2.1.02,7]undeca-2,4,6-trien-4,5-diol [German] [ACD/IUPAC Name]
(1R,9S)-9-Aminotricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-diol [ACD/IUPAC Name]
(1R,9S)-9-Aminotricyclo[6.2.1.02,7]undéca-2,4,6-triène-4,5-diol [French] [ACD/IUPAC Name]
1,4-Methanonaphthalene-6,7-diol, 2-amino-1,2,3,4-tetrahydro-, (2S,4R)- [ACD/Index Name]
1,4-Methanonaphthalene-6,7-diol, 2-amino-1,2,3,4-tetrahydro-, (1α,2α,4α)-(±)-
81970-03-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 381.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 184.3±27.9 °C
Index of Refraction: 1.685
Molar Refractivity: 53.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 139.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement