ChemSpider 2D Image | (5beta)-13-Methoxyibogamine | C20H26N2O

(5β)-13-Methoxyibogamine

  • Molecular FormulaC20H26N2O
  • Average mass310.433 Da
  • Monoisotopic mass310.204498 Da
  • ChemSpider ID113610576

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5β)-13-Methoxyibogamin [German] [ACD/IUPAC Name]
(5β)-13-Methoxyibogamine [ACD/IUPAC Name]
(5β)-13-Méthoxyibogamine [French] [ACD/IUPAC Name]
Ibogamine, 13-methoxy-, (5β)- [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: 484.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 246.6±27.3 °C
Index of Refraction: 1.643
Molar Refractivity: 93.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.94
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 8.76
ACD/KOC (pH 7.4): 45.08
Polar Surface Area: 28 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 257.6±5.0 cm3

Click to predict properties on the Chemicalize site


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