ChemSpider 2D Image | Norisoboldine | C18H19NO4

Norisoboldine

  • Molecular FormulaC18H19NO4
  • Average mass313.348 Da
  • Monoisotopic mass313.131409 Da
  • ChemSpider ID23282643

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-Norisoboldine
(6aS)-2,10-Dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]chinolin-1,9-diol [German] [ACD/IUPAC Name]
(6aS)-2,10-Diméthoxy-5,6,6a,7-tétrahydro-4H-dibenzo[de,g]quinoléine-1,9-diol [French] [ACD/IUPAC Name]
(6aS)-2,10-Dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol [ACD/IUPAC Name]
23599-69-1 [RN]
4H-Dibenzo[de,g]quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-, (6aS)- [ACD/Index Name]
Norisoboldine
(S)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol
[23599-69-1] [RN]
4H-Dibenzo[de,g]quinoline-1,9-diol,5,6,6a,7-tetrahydro-2,10-dimethoxy-, (6aS)-
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 553.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.5±3.0 kJ/mol
    Flash Point: 288.3±30.1 °C
    Index of Refraction: 1.643
    Molar Refractivity: 86.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.43
    ACD/LogD (pH 5.5): -0.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 1.21
    ACD/BCF (pH 7.4): 3.08
    ACD/KOC (pH 7.4): 44.87
    Polar Surface Area: 71 Å2
    Polarizability: 34.2±0.5 10-24cm3
    Surface Tension: 55.2±3.0 dyne/cm
    Molar Volume: 238.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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