ChemSpider 2D Image | 12-[(~2~H_3_)Methyloxy]ibogamine | C20H23D3N2O

12-[(2H3)Methyloxy]ibogamine

  • Molecular FormulaC20H23D3N2O
  • Average mass313.452 Da
  • Monoisotopic mass313.223358 Da
  • ChemSpider ID114392971

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

12-[(2H3)Methyloxy]ibogamin [German] [ACD/IUPAC Name]
12-[(2H3)Methyloxy]ibogamine [ACD/IUPAC Name]
12-[(2H3)Méthyloxy]ibogamine [French] [ACD/IUPAC Name]
Ibogamine, 12-(methyl-d3-oxy)- [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: 4.56
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.13
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 9.24
ACD/KOC (pH 7.4): 46.60
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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