ChemSpider 2D Image | Ethyl (3R,9aR)-octahydro-2H-quinolizine-3-carboxylate | C12H21NO2

Ethyl (3R,9aR)-octahydro-2H-quinolizine-3-carboxylate

  • Molecular FormulaC12H21NO2
  • Average mass211.301 Da
  • Monoisotopic mass211.157227 Da
  • ChemSpider ID28537037

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,9aR)-Octahydro-2H-quinolizine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
2H-Quinolizine-3-carboxylic acid, octahydro-, ethyl ester, (3R,9aR)- [ACD/Index Name]
Ethyl (3R,9aR)-octahydro-2H-quinolizine-3-carboxylate [ACD/IUPAC Name]
Ethyl-(3R,9aR)-octahydro-2H-chinolizin-3-carboxylat [German] [ACD/IUPAC Name]
[19728-76-8] [RN]
19728-76-8 [RN]
cis-Ethyl octahydro-1H-quinolizine-3-carboxylate
ethyl (3R,9aR)-octahydro-1H-quinolizine-3-carboxylate
MFCD09952445 [MDL number]
MFCD23701598

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 281.3±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.0±3.0 kJ/mol
    Flash Point: 99.4±13.5 °C
    Index of Refraction: 1.503
    Molar Refractivity: 59.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.44
    ACD/LogD (pH 5.5): -0.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.04
    Polar Surface Area: 30 Å2
    Polarizability: 23.5±0.5 10-24cm3
    Surface Tension: 38.5±5.0 dyne/cm
    Molar Volume: 200.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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