ChemSpider 2D Image | Ethyl trans-4-aminocyclohexanecarboxylate | C9H17NO2

Ethyl trans-4-aminocyclohexanecarboxylate

  • Molecular FormulaC9H17NO2
  • Average mass171.237 Da
  • Monoisotopic mass171.125931 Da
  • ChemSpider ID24597398

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1678-68-8 [RN]
Cyclohexanecarboxylic acid, 4-amino-, ethyl ester, trans- [ACD/Index Name]
Ethyl trans-4-aminocyclohexanecarboxylate [ACD/IUPAC Name]
Ethyl-trans-4-aminocyclohexancarboxylat [German] [ACD/IUPAC Name]
trans-4-Aminocyclohexanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
(trans-4-Carboethoxycyclohexyl)amine
DS-4599
ethyl (1r,4r)-4-aminocyclohexane-1-carboxylate
MFCD01333991 [MDL number]
trans-4-Aminocyclohexanecarboxylic acid ethyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 235.3±33.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.2±3.0 kJ/mol
    Flash Point: 101.5±22.9 °C
    Index of Refraction: 1.469
    Molar Refractivity: 46.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.12
    ACD/LogD (pH 5.5): -2.12
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.75
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 52 Å2
    Polarizability: 18.6±0.5 10-24cm3
    Surface Tension: 36.1±3.0 dyne/cm
    Molar Volume: 168.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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