ChemSpider 2D Image | Methyl 1-(1-(tert-butoxycarbonyl)azetidin-3-yl)-1H-1,2,3-triazole-4-carboxylate | C12H18N4O4

Methyl 1-(1-(tert-butoxycarbonyl)azetidin-3-yl)-1H-1,2,3-triazole-4-carboxylate

  • Molecular FormulaC12H18N4O4
  • Average mass282.296 Da
  • Monoisotopic mass282.132813 Da
  • ChemSpider ID26054942

More details:

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

1-(1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-3-azétidinyl)-1H-1,2,3-triazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1306604-14-7 [RN]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[1-[(1,1-dimethylethoxy)carbonyl]-3-azetidinyl]-, methyl ester [ACD/Index Name]
Methyl 1-(1-(tert-butoxycarbonyl)azetidin-3-yl)-1H-1,2,3-triazole-4-carboxylate
Methyl 1-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azetidinyl)-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]
1H-1,2,3-triazole-4-carboxylic acid, 1-[1-[(1,1-dimethylethoxy)carbonyl]-3-azetidinyl], methyl ester
methyl 1-[1-(tert-butoxycarbonyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxylate
methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]triazole-4-carboxylate
methyl 1-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxylate
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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: 415.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.9±3.0 kJ/mol
    Flash Point: 205.3±31.5 °C
    Index of Refraction: 1.594
    Molar Refractivity: 71.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.14
    ACD/LogD (pH 5.5): 0.72
    ACD/BCF (pH 5.5): 2.09
    ACD/KOC (pH 5.5): 58.90
    ACD/LogD (pH 7.4): 0.72
    ACD/BCF (pH 7.4): 2.09
    ACD/KOC (pH 7.4): 58.90
    Polar Surface Area: 87 Å2
    Polarizability: 28.2±0.5 10-24cm3
    Surface Tension: 47.8±7.0 dyne/cm
    Molar Volume: 209.3±7.0 cm3

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