ChemSpider 2D Image | Methyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(2-pyrimidinylamino)alaninate | C11H13F3N4O4

Methyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(2-pyrimidinylamino)alaninate

  • Molecular FormulaC11H13F3N4O4
  • Average mass322.241 Da
  • Monoisotopic mass322.088898 Da
  • ChemSpider ID29346005

More details:

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

Alanine, N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(2-pyrimidinylamino)-, methyl ester [ACD/Index Name]
Methyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(2-pyrimidinylamino)alaninate [ACD/IUPAC Name]
Methyl-N-(ethoxycarbonyl)-3,3,3-trifluor-2-(2-pyrimidinylamino)alaninat [German] [ACD/IUPAC Name]
N-(Éthoxycarbonyl)-3,3,3-trifluoro-2-(2-pyrimidinylamino)alaninate de méthyle [French] [ACD/IUPAC Name]
1441904-08-0 [RN]
AGN-PC-0JJAJ6
AKOS022113382
MCULE-7331599566
methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)propanoate
methyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-(pyrimidin-2-ylamino)alaninate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.507
    Molar Refractivity: 67.4±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 5.48
    ACD/LogD (pH 5.5): 3.13
    ACD/BCF (pH 5.5): 140.77
    ACD/KOC (pH 5.5): 1199.09
    ACD/LogD (pH 7.4): 2.98
    ACD/BCF (pH 7.4): 99.90
    ACD/KOC (pH 7.4): 850.95
    Polar Surface Area: 102 Å2
    Polarizability: 26.7±0.5 10-24cm3
    Surface Tension: 45.7±3.0 dyne/cm
    Molar Volume: 226.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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