ChemSpider 2D Image | 2-Methyl-2-propanyl 3-[(ethoxycarbonyl)amino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate | C13H20N4O4

2-Methyl-2-propanyl 3-[(ethoxycarbonyl)amino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate

  • Molecular FormulaC13H20N4O4
  • Average mass296.322 Da
  • Monoisotopic mass296.148468 Da
  • ChemSpider ID24958190

More details:

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

2-Methyl-2-propanyl 3-[(ethoxycarbonyl)amino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(ethoxycarbonyl)amino]-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-carboxylat [German] [ACD/IUPAC Name]
3-[(Éthoxycarbonyl)amino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 3-[(ethoxycarbonyl)amino]-4,6-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
1049677-66-8 [RN]
3-Ethoxycarbonylamino-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester
3-Ethoxycarbonylamino-5-Boc-4,6-dihydro-pyrrolo[3,4-c]pyrazole
MFCD11053612
tert-Butyl 3-((ethoxycarbonyl)amino)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 427.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.2±3.0 kJ/mol
    Flash Point: 212.1±28.7 °C
    Index of Refraction: 1.587
    Molar Refractivity: 75.4±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.30
    ACD/LogD (pH 5.5): 2.11
    ACD/BCF (pH 5.5): 23.46
    ACD/KOC (pH 5.5): 332.20
    ACD/LogD (pH 7.4): 2.11
    ACD/BCF (pH 7.4): 23.65
    ACD/KOC (pH 7.4): 334.97
    Polar Surface Area: 97 Å2
    Polarizability: 29.9±0.5 10-24cm3
    Surface Tension: 62.3±3.0 dyne/cm
    Molar Volume: 224.3±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement