ChemSpider 2D Image | 1-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1H-1,2,3-triazole-4-carboxylic acid | C13H20N4O4

1-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC13H20N4O4
  • Average mass296.322 Da
  • Monoisotopic mass296.148468 Da
  • ChemSpider ID35474106

More details:

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

1-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1H-1,2,3-triazole-4-carboxylic acid
1334492-51-1 [RN]
1-Piperidinecarboxylic acid, 3-(4-carboxy-1H-1,2,3-triazol-1-yl)-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
Acide 1-(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pipéridinyl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
1-(1-(tert-Butoxycarbonyl)piperidin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]triazole-4-carboxylic acid
3-(4-Carboxy-[1,2,3]triazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester
MFCD20232459

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 487.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.4±3.0 kJ/mol
    Flash Point: 248.8±31.5 °C
    Index of Refraction: 1.611
    Molar Refractivity: 75.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.67
    ACD/LogD (pH 5.5): -0.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.83
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 98 Å2
    Polarizability: 29.9±0.5 10-24cm3
    Surface Tension: 52.1±7.0 dyne/cm
    Molar Volume: 217.0±7.0 cm3

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