ChemSpider 2D Image | 1-Isobutyl-7-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C16H22N2O

1-Isobutyl-7-methoxy-2,3,4,9-tetrahydro-1H-β-carboline

  • Molecular FormulaC16H22N2O
  • Average mass258.359 Da
  • Monoisotopic mass258.173218 Da
  • ChemSpider ID29303329

More details:

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

175975-76-5 [RN]
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-7-methoxy-1-(2-methylpropyl)- [ACD/Index Name]
1-isobutyl-7-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
1-Isobutyl-7-methoxy-2,3,4,9-tetrahydro-1H-β-carbolin [German] [ACD/IUPAC Name]
1-Isobutyl-7-methoxy-2,3,4,9-tetrahydro-1H-β-carboline [ACD/IUPAC Name]
1-Isobutyl-7-méthoxy-2,3,4,9-tétrahydro-1H-β-carboline [French] [ACD/IUPAC Name]
7-methoxy-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CS-14311

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 425.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.0±3.0 kJ/mol
    Flash Point: 211.0±27.3 °C
    Index of Refraction: 1.576
    Molar Refractivity: 79.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.09
    ACD/LogD (pH 5.5): -0.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.10
    Polar Surface Area: 37 Å2
    Polarizability: 31.4±0.5 10-24cm3
    Surface Tension: 41.3±3.0 dyne/cm
    Molar Volume: 239.7±3.0 cm3

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