ChemSpider 2D Image | 3-Amino-5-Boc-6,6-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole | C12H20N4O2

3-Amino-5-Boc-6,6-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole

  • Molecular FormulaC12H20N4O2
  • Average mass252.313 Da
  • Monoisotopic mass252.158630 Da
  • ChemSpider ID23347177

More details:

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

2-Methyl-2-propanyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-carboxylat [German] [ACD/IUPAC Name]
398491-61-7 [RN]
3-Amino-5-Boc-6,6-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
3-Amino-6,6-diméthyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
718632-44-1 [RN]
pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 3-amino-4,6-dihydro-6,6-dimethyl-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 3-amino-6,6-dimethyl-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate
[398491-61-7] [RN]
[718632-44-1] [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: 420.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.4±3.0 kJ/mol
    Flash Point: 208.1±28.7 °C
    Index of Refraction: 1.567
    Molar Refractivity: 68.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.96
    ACD/LogD (pH 5.5): 1.53
    ACD/BCF (pH 5.5): 8.46
    ACD/KOC (pH 5.5): 158.42
    ACD/LogD (pH 7.4): 1.55
    ACD/BCF (pH 7.4): 8.85
    ACD/KOC (pH 7.4): 165.73
    Polar Surface Area: 84 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 52.3±3.0 dyne/cm
    Molar Volume: 209.0±3.0 cm3

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