ChemSpider 2D Image | (1R,9aR)-Octahydro-2H-quinolizin-1-ylmethyl nonanoate | C19H35NO2

(1R,9aR)-Octahydro-2H-quinolizin-1-ylmethyl nonanoate

  • Molecular FormulaC19H35NO2
  • Average mass309.487 Da
  • Monoisotopic mass309.266785 Da
  • ChemSpider ID22870804

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,9aR)-Octahydro-2H-chinolizin-1-ylmethyl-nonanoat [German] [ACD/IUPAC Name]
(1R,9aR)-Octahydro-2H-quinolizin-1-ylmethyl nonanoate [ACD/IUPAC Name]
Nonanoate de (1R,9aR)-octahydro-2H-quinolizin-1-ylméthyle [French] [ACD/IUPAC Name]
Nonanoic acid, [(1R,9aR)-octahydro-2H-quinolizin-1-yl]methyl ester [ACD/Index Name]
((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl nonanoate
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl nonanoate
1212491-01-4 [RN]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 392.1±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.2±3.0 kJ/mol
    Flash Point: 112.7±11.3 °C
    Index of Refraction: 1.495
    Molar Refractivity: 91.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 5.91
    ACD/LogD (pH 5.5): 3.06
    ACD/BCF (pH 5.5): 22.63
    ACD/KOC (pH 5.5): 43.42
    ACD/LogD (pH 7.4): 3.80
    ACD/BCF (pH 7.4): 126.24
    ACD/KOC (pH 7.4): 242.21
    Polar Surface Area: 30 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 37.8±5.0 dyne/cm
    Molar Volume: 314.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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