ChemSpider 2D Image | 2-Methoxyethyl 21-methoxyibogamine-18-carboxylate | C24H32N2O4

2-Methoxyethyl 21-methoxyibogamine-18-carboxylate

  • Molecular FormulaC24H32N2O4
  • Average mass412.522 Da
  • Monoisotopic mass412.236206 Da
  • ChemSpider ID24674161

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

21-Méthoxyibogamine-18-carboxylate de 2-méthoxyéthyle [French] [ACD/IUPAC Name]
2-Methoxyethyl 21-methoxyibogamine-18-carboxylate [ACD/IUPAC Name]
2-Methoxyethyl-21-methoxyibogamin-18-carboxylat [German] [ACD/IUPAC Name]
Ibogamine-18-carboxylic acid, 21-methoxy-, 2-methoxyethyl ester [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: 562.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.2±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 115.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.79
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 31.39
ACD/KOC (pH 7.4): 286.50
Polar Surface Area: 64 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 331.5±5.0 cm3

Click to predict properties on the Chemicalize site


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