ChemSpider 2D Image | tert-butyl 2-amino-4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate | C11H15ClN4O2

tert-butyl 2-amino-4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

  • Molecular FormulaC11H15ClN4O2
  • Average mass270.715 Da
  • Monoisotopic mass270.088348 Da
  • ChemSpider ID23499512

More details:

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

1207175-28-7 [RN]
tert-butyl 2-amino-4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
MFCD12756166
tert-Butyl 2-amino-4-chloro-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

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

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 462.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.4±3.0 kJ/mol
    Flash Point: 233.5±31.5 °C
    Index of Refraction: 1.600
    Molar Refractivity: 67.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.81
    ACD/LogD (pH 5.5): 1.74
    ACD/BCF (pH 5.5): 12.32
    ACD/KOC (pH 5.5): 209.99
    ACD/LogD (pH 7.4): 1.74
    ACD/BCF (pH 7.4): 12.34
    ACD/KOC (pH 7.4): 210.27
    Polar Surface Area: 81 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 63.4±3.0 dyne/cm
    Molar Volume: 197.4±3.0 cm3

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