ChemSpider 2D Image | Tert-butyl 3-((di-tert-butoxycarbonyl)amino)-5-(1-hydroxyethyl)-1H-pyrazole-1-carboxylate | C20H33N3O7

Tert-butyl 3-((di-tert-butoxycarbonyl)amino)-5-(1-hydroxyethyl)-1H-pyrazole-1-carboxylate

  • Molecular FormulaC20H33N3O7
  • Average mass427.492 Da
  • Monoisotopic mass427.231842 Da
  • ChemSpider ID28638630

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

1439824-04-0 [RN]
1H-Pyrazole-1-carboxylic acid, 3-[bis[(1,1-dimethylethoxy)carbonyl]amino]-5-(1-hydroxyethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(bis{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-(1-hydroxyethyl)-1H-pyrazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(bis{[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-(1-hydroxyethyl)-1H-pyrazol-1-carboxylat [German] [ACD/IUPAC Name]
3-(Bis{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-5-(1-hydroxyéthyl)-1H-pyrazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Tert-butyl 3-((di-tert-butoxycarbonyl)amino)-5-(1-hydroxyethyl)-1H-pyrazole-1-carboxylate
MFCD22690763 [MDL number]
tert-Butyl 3-(bis(tert-butoxycarbonyl)amino)-5-(1-hydroxyethyl)-1H-pyrazole-1-carboxylate
tert-Butyl 3-(di-(tert-Butoxycarbonyl)amino)-5-(1-hydroxyethyl)-1H-pyrazole-1-carboxylate
tert-butyl 3-[Bis(tert-butoxycarbonyl)amino]-5-(1-hydroxyethyl)pyrazole-1-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 511.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.4±3.0 kJ/mol
    Flash Point: 263.4±32.9 °C
    Index of Refraction: 1.512
    Molar Refractivity: 110.5±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 2.57
    ACD/LogD (pH 5.5): 3.15
    ACD/BCF (pH 5.5): 146.54
    ACD/KOC (pH 5.5): 1235.98
    ACD/LogD (pH 7.4): 3.15
    ACD/BCF (pH 7.4): 146.54
    ACD/KOC (pH 7.4): 1235.98
    Polar Surface Area: 120 Å2
    Polarizability: 43.8±0.5 10-24cm3
    Surface Tension: 37.2±7.0 dyne/cm
    Molar Volume: 368.2±7.0 cm3

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