ChemSpider 2D Image | 1-Methyl-7-[(~2~H_3_)methyloxy]-9H-beta-carboline | C13H9D3N2O

1-Methyl-7-[(2H3)methyloxy]-9H-β-carboline

  • Molecular FormulaC13H9D3N2O
  • Average mass215.266 Da
  • Monoisotopic mass215.113800 Da
  • ChemSpider ID48062395

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Methyl-7-[(2H3)methyloxy]-9H-β-carbolin [German] [ACD/IUPAC Name]
1-Methyl-7-[(2H3)methyloxy]-9H-β-carboline [ACD/IUPAC Name]
1-Méthyl-7-[(2H3)méthyloxy]-9H-β-carboline [French] [ACD/IUPAC Name]
9H-Pyrido[3,4-b]indole, 1-methyl-7-(methyl-d3-oxy)- [ACD/Index Name]
1216704-96-9 [RN]
1-methyl-7-(trideuteriomethoxy)-9H-pyrido[3,4-b]indole
MFCD28898954

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 421.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 64.9±3.0 kJ/mol
    Flash Point: 139.8±17.0 °C
    Index of Refraction: 1.706
    Molar Refractivity: 66.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.17
    ACD/LogD (pH 5.5): 0.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.46
    ACD/LogD (pH 7.4): 1.61
    ACD/BCF (pH 7.4): 4.78
    ACD/KOC (pH 7.4): 45.40
    Polar Surface Area: 38 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 55.7±3.0 dyne/cm
    Molar Volume: 169.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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