ChemSpider 2D Image | 2-Methyl-2-propanyl 3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidinecarboxylate | C15H19ClN4O2

2-Methyl-2-propanyl 3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC15H19ClN4O2
  • Average mass322.790 Da
  • Monoisotopic mass322.119659 Da
  • ChemSpider ID68008125

More details:






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

1-Pyrrolidinecarboxylic acid, 3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(4-chlor-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1240301-66-9 [RN]
CS-15749
tert-Butyl 3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 467.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 72.9±3.0 kJ/mol
    Flash Point: 236.4±28.7 °C
    Index of Refraction: 1.640
    Molar Refractivity: 84.9±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.22
    ACD/LogD (pH 5.5): 2.75
    ACD/BCF (pH 5.5): 72.11
    ACD/KOC (pH 5.5): 743.27
    ACD/LogD (pH 7.4): 2.75
    ACD/BCF (pH 7.4): 72.36
    ACD/KOC (pH 7.4): 745.85
    Polar Surface Area: 60 Å2
    Polarizability: 33.6±0.5 10-24cm3
    Surface Tension: 49.0±7.0 dyne/cm
    Molar Volume: 235.4±7.0 cm3

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