ChemSpider 2D Image | 2-Methyl-2-propanyl 3-(3-amino-1H-pyrazol-1-yl)-1-azetidinecarboxylate | C11H18N4O2

2-Methyl-2-propanyl 3-(3-amino-1H-pyrazol-1-yl)-1-azetidinecarboxylate

  • Molecular FormulaC11H18N4O2
  • Average mass238.286 Da
  • Monoisotopic mass238.142975 Da
  • ChemSpider ID60993407

More details:

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

1-Azetidinecarboxylic acid, 3-(3-amino-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(3-amino-1H-pyrazol-1-yl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(3-amino-1H-pyrazol-1-yl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(3-Amino-1H-pyrazol-1-yl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1361386-63-1 [RN]
MFCD26393207
tert-butyl 3-(3-amino-1h-pyrazol-1-yl)azetidine-1-carboxylate
tert-butyl 3-(3-aminopyrazol-1-yl)azetidine-1-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: 399.5±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.0±3.0 kJ/mol
    Flash Point: 195.4±25.1 °C
    Index of Refraction: 1.610
    Molar Refractivity: 63.2±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.11
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 3.01
    ACD/KOC (pH 5.5): 72.60
    ACD/LogD (pH 7.4): 1.04
    ACD/BCF (pH 7.4): 3.64
    ACD/KOC (pH 7.4): 87.62
    Polar Surface Area: 73 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 48.8±7.0 dyne/cm
    Molar Volume: 182.3±7.0 cm3

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