ChemSpider 2D Image | 5-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline | C11H13NO2

5-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline

  • Molecular FormulaC11H13NO2
  • Average mass191.226 Da
  • Monoisotopic mass191.094635 Da
  • ChemSpider ID23900462

More details:

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

1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-5-methyl- [ACD/Index Name]
5-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isochinolin [German] [ACD/IUPAC Name]
5-Méthyl-5,6,7,8-tétrahydro[1,3]dioxolo[4,5-g]isoquinoléine [French] [ACD/IUPAC Name]
5-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline [ACD/IUPAC Name]
[100077-51-8] [RN]
100077-51-8 [RN]
5-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinoline
5-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
MFCD09887062

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 303.7±31.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.4±3.0 kJ/mol
    Flash Point: 118.4±14.3 °C
    Index of Refraction: 1.557
    Molar Refractivity: 52.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.76
    ACD/LogD (pH 5.5): -1.21
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.65
    Polar Surface Area: 30 Å2
    Polarizability: 20.9±0.5 10-24cm3
    Surface Tension: 44.0±3.0 dyne/cm
    Molar Volume: 163.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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