ChemSpider 2D Image | tert-Butyl 3-(3-amino-1H-pyrazol-5-yl)azetidine-1-carboxylate | C11H18N4O2

tert-Butyl 3-(3-amino-1H-pyrazol-5-yl)azetidine-1-carboxylate

  • Molecular FormulaC11H18N4O2
  • Average mass238.286 Da
  • Monoisotopic mass238.142975 Da
  • ChemSpider ID32056184

More details:

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

1346674-11-0 [RN]
1-Azetidinecarboxylic acid, 3-(3-amino-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
1-Azetidinecarboxylic acid, 3-(5-amino-1H-pyrazol-3-yl)-, 1,1-dimethylethyl ester
2-Methyl-2-propanyl 3-(3-amino-1H-pyrazol-5-yl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(3-amino-1H-pyrazol-5-yl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(3-Amino-1H-pyrazol-5-yl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-(3-amino-1H-pyrazol-5-yl)azetidine-1-carboxylate
3-(5-Amino-1H-pyrazol-3-yl)-azetidine-1-carboxylic acid tert-butyl ester
MFCD23105880 [MDL number]
TERT-BUTYL 3-(5-AMINO-1H-PYRAZOL-3-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: 442.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.0±3.0 kJ/mol
    Flash Point: 221.7±28.7 °C
    Index of Refraction: 1.593
    Molar Refractivity: 63.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.07
    ACD/LogD (pH 5.5): 0.97
    ACD/BCF (pH 5.5): 3.07
    ACD/KOC (pH 5.5): 73.42
    ACD/LogD (pH 7.4): 1.06
    ACD/BCF (pH 7.4): 3.73
    ACD/KOC (pH 7.4): 89.29
    Polar Surface Area: 84 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 62.1±3.0 dyne/cm
    Molar Volume: 187.2±3.0 cm3

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