ChemSpider 2D Image | 4-{[(tert-Butoxy)carbonyl]amino}-1H-pyrazole-3-carboxylic acid | C9H13N3O4

4-{[(tert-Butoxy)carbonyl]amino}-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC9H13N3O4
  • Average mass227.217 Da
  • Monoisotopic mass227.090607 Da
  • ChemSpider ID28467194

More details:

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

1H-Pyrazole-3-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]- [ACD/Index Name]
4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
4-{[(tert-Butoxy)carbonyl]amino}-1H-pyrazole-3-carboxylic acid
896466-71-0 [RN]
Acide 4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
4-((tert-Butoxycarbonyl)amino)-1H-pyrazole-3-carboxylic acid
4-([(Tert-butoxy)carbonyl]amino)-1H-pyrazole-3-carboxylic acid
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrazole-5-carboxylic acid
4-[(TERT-BUTOXYCARBONYL)AMINO]-1H-PYRAZOLE-3-CARBOXYLIC ACID
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 387.0±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.1±3.0 kJ/mol
    Flash Point: 187.8±23.7 °C
    Index of Refraction: 1.600
    Molar Refractivity: 55.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): 0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.78
    ACD/LogD (pH 7.4): -1.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 64.7±3.0 dyne/cm
    Molar Volume: 162.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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