ChemSpider 2D Image | tert-butyl 5H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate | C11H15N3O2

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

  • Molecular FormulaC11H15N3O2
  • Average mass221.256 Da
  • Monoisotopic mass221.116425 Da
  • ChemSpider ID23347269

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

1207175-93-6 [RN]
2-Methyl-2-propanyl 5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
5,7-Dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 5,7-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
tert-butyl 5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
tert-butyl 5H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
tert-butyl 5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
[1207175-93-6] [RN]
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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: 1.2±0.1 g/cm3
    Boiling Point: 341.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.5±3.0 kJ/mol
    Flash Point: 160.4±27.9 °C
    Index of Refraction: 1.550
    Molar Refractivity: 58.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.11
    ACD/LogD (pH 5.5): 1.05
    ACD/BCF (pH 5.5): 3.73
    ACD/KOC (pH 5.5): 89.33
    ACD/LogD (pH 7.4): 1.05
    ACD/BCF (pH 7.4): 3.73
    ACD/KOC (pH 7.4): 89.36
    Polar Surface Area: 55 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 52.0±3.0 dyne/cm
    Molar Volume: 183.2±3.0 cm3

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