ChemSpider 2D Image | tert-Butyl 3-(pyrimidin-4-ylamino)azetidine-1-carboxylate | C12H18N4O2

tert-Butyl 3-(pyrimidin-4-ylamino)azetidine-1-carboxylate

  • Molecular FormulaC12H18N4O2
  • Average mass250.297 Da
  • Monoisotopic mass250.142975 Da
  • ChemSpider ID29356143

More details:

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

1380300-87-7 [RN]
1-Azetidinecarboxylic acid, 3-(4-pyrimidinylamino)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(4-pyrimidinylamino)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(4-pyrimidinylamino)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(4-Pyrimidinylamino)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-(pyrimidin-4-ylamino)azetidine-1-carboxylate
KS-7385
MFCD22375726
TERT-BUTYL 3-[(PYRIMIDIN-4-YL)AMINO]AZETIDINE-1-CARBOXYLATE

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 398.2±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.9±3.0 kJ/mol
    Flash Point: 194.6±25.1 °C
    Index of Refraction: 1.589
    Molar Refractivity: 67.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.75
    ACD/LogD (pH 5.5): 1.33
    ACD/BCF (pH 5.5): 4.91
    ACD/KOC (pH 5.5): 84.59
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.70
    ACD/KOC (pH 7.4): 201.42
    Polar Surface Area: 67 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 60.8±3.0 dyne/cm
    Molar Volume: 200.6±3.0 cm3

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