ChemSpider 2D Image | ({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(1-methyl-1H-pyrazol-4-yl)acetic acid | C11H17N3O4

({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(1-methyl-1H-pyrazol-4-yl)acetic acid

  • Molecular FormulaC11H17N3O4
  • Average mass255.270 Da
  • Monoisotopic mass255.121902 Da
  • ChemSpider ID44302287

More details:

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

({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(1-methyl-1H-pyrazol-4-yl)acetic acid [ACD/IUPAC Name]
({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(1-methyl-1H-pyrazol-4-yl)essigsäure [German] [ACD/IUPAC Name]
1H-Pyrazole-4-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl- [ACD/Index Name]
Acide ({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)(1-méthyl-1H-pyrazol-4-yl)acétique [French] [ACD/IUPAC Name]
[(tert-butoxycarbonyl)amino](1-methylpyrazol-4-yl)acetic acid
1394970-92-3 [RN]
2-((t-Butoxycarbonyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)acetic acid
2-((tert-Butoxycarbonyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)acetic acid
2-{[(tert-butoxy)carbonyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)acetic acid
2165612-79-1 [RN]
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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: 438.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.3±3.0 kJ/mol
    Flash Point: 219.0±27.3 °C
    Index of Refraction: 1.552
    Molar Refractivity: 64.5±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.69
    ACD/LogD (pH 5.5): -1.70
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.96
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 93 Å2
    Polarizability: 25.6±0.5 10-24cm3
    Surface Tension: 43.8±7.0 dyne/cm
    Molar Volume: 201.7±7.0 cm3

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