ChemSpider 2D Image | Methyl (18xi)-ibogamine-18-carboxylate | C21H26N2O2

Methyl (18ξ)-ibogamine-18-carboxylate

  • Molecular FormulaC21H26N2O2
  • Average mass338.443 Da
  • Monoisotopic mass338.199432 Da
  • ChemSpider ID58802144

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(18ξ)-Ibogamine-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
Ibogamine-18-carboxylic acid, methyl ester, (18ξ)- [ACD/Index Name]
Methyl (18ξ)-ibogamine-18-carboxylate [ACD/IUPAC Name]
Methyl-(18ξ)-ibogamin-18-carboxylat [German] [ACD/IUPAC Name]
467-77-6 [RN]
Coronaridine [Wiki]
Methyl (15R,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 488.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 249.0±28.7 °C
Index of Refraction: 1.643
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 10.33
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 89.13
ACD/KOC (pH 7.4): 524.40
Polar Surface Area: 45 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 271.0±5.0 cm3

Click to predict properties on the Chemicalize site


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