ChemSpider 2D Image | 7-tert-Butyl 4-ethyl 7H-pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate | C14H17N3O4

7-tert-Butyl 4-ethyl 7H-pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate

  • Molecular FormulaC14H17N3O4
  • Average mass291.302 Da
  • Monoisotopic mass291.121918 Da
  • ChemSpider ID29313778

More details:

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

1357147-41-1 [RN]
4-Ethyl 7-(2-methyl-2-propanyl) 7H-pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate [ACD/IUPAC Name]
4-Ethyl-7-(2-methyl-2-propanyl)-7H-pyrrolo[2,3-d]pyrimidin-4,7-dicarboxylat [German] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate de 4-éthyle et de 7-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylic acid, 7-(1,1-dimethylethyl) 4-ethyl ester [ACD/Index Name]
7-tert-Butyl 4-ethyl 7H-pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate
7-O-tert-butyl 4-O-ethyl pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate
7-tert-butyl 4-ethyl pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate
MFCD21333204 [MDL number]
tertbutylethylpyrrolodpyrimidinedicarboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 411.9±48.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.4±3.0 kJ/mol
    Flash Point: 202.9±29.6 °C
    Index of Refraction: 1.576
    Molar Refractivity: 76.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.94
    ACD/LogD (pH 5.5): 2.36
    ACD/BCF (pH 5.5): 36.36
    ACD/KOC (pH 5.5): 455.70
    ACD/LogD (pH 7.4): 2.36
    ACD/BCF (pH 7.4): 36.37
    ACD/KOC (pH 7.4): 455.85
    Polar Surface Area: 83 Å2
    Polarizability: 30.3±0.5 10-24cm3
    Surface Tension: 43.8±7.0 dyne/cm
    Molar Volume: 230.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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