ChemSpider 2D Image | (2alpha,5xi)-Ibogamine | C19H24N2

(2α,5ξ)-Ibogamine

  • Molecular FormulaC19H24N2
  • Average mass280.407 Da
  • Monoisotopic mass280.193939 Da
  • ChemSpider ID23344933

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2α,5ξ)-Ibogamin [German] [ACD/IUPAC Name]
(2α,5ξ)-Ibogamine [ACD/IUPAC Name]
(2α,5ξ)-Ibogamine [French] [ACD/IUPAC Name]
Ibogamine, (2α,5ξ)- [ACD/Index Name]
(6R,7S,9S)-7-ethyl-6,6a,7,8,9,10,12,13-octahydro-5H-6,9-methanopyrido[1',2':1,2]azepino[4,5-b]indole
17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
Ibogamine [ACD/Index Name] [ACD/IUPAC Name] [Wiki]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 452.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.1±3.0 kJ/mol
    Flash Point: 227.3±25.9 °C
    Index of Refraction: 1.658
    Molar Refractivity: 86.8±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.65
    ACD/LogD (pH 5.5): 1.34
    ACD/BCF (pH 5.5): 1.13
    ACD/KOC (pH 5.5): 5.11
    ACD/LogD (pH 7.4): 2.17
    ACD/BCF (pH 7.4): 7.56
    ACD/KOC (pH 7.4): 34.13
    Polar Surface Area: 19 Å2
    Polarizability: 34.4±0.5 10-24cm3
    Surface Tension: 53.8±5.0 dyne/cm
    Molar Volume: 235.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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