ChemSpider 2D Image | tert-butyl 2-amino-5H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate | C11H16N4O2

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

  • Molecular FormulaC11H16N4O2
  • Average mass236.270 Da
  • Monoisotopic mass236.127319 Da
  • ChemSpider ID23499612

More details:

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

1105187-42-5 [RN]
2-Amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 2-amino-5,7-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 2-amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
tert-butyl 2-amino-5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
tert-butyl 2-amino-5H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
tert-Butyl 2-amino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
2-Amino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxyl icacid1,1-dimethylethylester
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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: 1.3±0.1 g/cm3
    Boiling Point: 428.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 212.8±31.5 °C
    Index of Refraction: 1.590
    Molar Refractivity: 62.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.01
    ACD/LogD (pH 5.5): 0.85
    ACD/BCF (pH 5.5): 2.55
    ACD/KOC (pH 5.5): 66.70
    ACD/LogD (pH 7.4): 0.88
    ACD/BCF (pH 7.4): 2.73
    ACD/KOC (pH 7.4): 71.45
    Polar Surface Area: 81 Å2
    Polarizability: 24.8±0.5 10-24cm3
    Surface Tension: 61.7±3.0 dyne/cm
    Molar Volume: 185.5±3.0 cm3

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