ChemSpider 2D Image | 3'-Amino-5'-Boc-1',4'-dihydrospiro[cyclopropane-1,6'(5'H)-pyrrolo[3,4-c]pyrazole] | C12H18N4O2

3'-Amino-5'-Boc-1',4'-dihydrospiro[cyclopropane-1,6'(5'H)-pyrrolo[3,4-c]pyrazole]

  • Molecular FormulaC12H18N4O2
  • Average mass250.297 Da
  • Monoisotopic mass250.142975 Da
  • ChemSpider ID29357102

More details:

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

2-Methyl-2-propanyl 3'-amino-1',4'-dihydro-5'H-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxylate [ACD/IUPAC Name]
3'-Amino-5'-Boc-1',4'-dihydrospiro[cyclopropane-1,6'(5'H)-pyrrolo[3,4-c]pyrazole]
946497-95-6 [RN]
Spiro[cyclopropane-1,6'(5'H)-pyrrolo[3,4-c]pyrazole]-5'-carboxylic acid, 3'-amino-1',4'-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
718632-45-2 [RN]
MFCD10566539
tert-Butyl 3'-amino-1',4'-dihydro-5'H-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxylate
tert-butyl 3'-amino-1',4'-dihydrospiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxylate
TERT-BUTYL 3'-AMINO-1'H-SPIRO[CYCLOPROPANE-1,6'-PYRROLO[3,4-C]PYRAZOLE]-5'(4'H)-CARBOXYLATE
tert-butyl 3'-amino-2'H-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'(4'H)-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 462.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.4±3.0 kJ/mol
    Flash Point: 233.5±28.7 °C
    Index of Refraction: 1.620
    Molar Refractivity: 65.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.31
    ACD/LogD (pH 5.5): 0.59
    ACD/BCF (pH 5.5): 1.48
    ACD/KOC (pH 5.5): 40.49
    ACD/LogD (pH 7.4): 0.79
    ACD/BCF (pH 7.4): 2.33
    ACD/KOC (pH 7.4): 63.72
    Polar Surface Area: 84 Å2
    Polarizability: 25.9±0.5 10-24cm3
    Surface Tension: 67.0±5.0 dyne/cm
    Molar Volume: 186.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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