ChemSpider 2D Image | 3-Nitrovaline | C5H10N2O4

3-Nitrovaline

  • Molecular FormulaC5H10N2O4
  • Average mass162.144 Da
  • Monoisotopic mass162.064056 Da
  • ChemSpider ID48057216

More details:

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

3-Nitrovalin [German] [ACD/IUPAC Name]
3-Nitrovaline [ACD/IUPAC Name]
3-Nitrovaline [French] [ACD/IUPAC Name]
Valine, 3-nitro- [ACD/Index Name]
170454-20-3 [RN]
2-amino-3-methyl-3-nitrobutanoic acid
3-NITRO-VALINE
3-nitro-valine(wx665206)
AGN-PC-00P99D
AGN-PC-0O4TIN
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 299.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 59.3±6.0 kJ/mol
    Flash Point: 134.9±25.9 °C
    Index of Refraction: 1.503
    Molar Refractivity: 36.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.85
    ACD/LogD (pH 5.5): -2.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 109 Å2
    Polarizability: 14.4±0.5 10-24cm3
    Surface Tension: 54.4±3.0 dyne/cm
    Molar Volume: 122.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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