ChemSpider 2D Image | (3alpha)-(1,2-~2~H_2_)-1,2-Dihydrogalanthamine | C17H21D2NO3

(3α)-(1,2-2H2)-1,2-Dihydrogalanthamine

  • Molecular FormulaC17H21D2NO3
  • Average mass291.382 Da
  • Monoisotopic mass291.180359 Da
  • ChemSpider ID8931328

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3α)-(1,2-2H2)-1,2-Dihydrogalanthamin [German] [ACD/IUPAC Name]
(3α)-(1,2-2H2)-1,2-Dihydrogalanthamine [ACD/IUPAC Name]
(3α)-(1,2-2H2)-1,2-Dihydrogalanthamine [French] [ACD/IUPAC Name]
6H-Benzofuro[3a,3,2-ef][2]benzazepin-7,8-d2-6-ol, 4a,5,7,8,9,10,11,12-octahydro-3-methoxy-11-methyl-, (4aS,6R,8aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 436.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 217.7±28.7 °C
Index of Refraction: 1.614
Molar Refractivity: 80.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 2.49
ACD/KOC (pH 7.4): 41.21
Polar Surface Area: 42 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 230.6±5.0 cm3

Click to predict properties on the Chemicalize site


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