ChemSpider 2D Image | tert-butyl 3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidine-1-carboxylate | C12H20N4O3

tert-butyl 3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidine-1-carboxylate

  • Molecular FormulaC12H20N4O3
  • Average mass268.312 Da
  • Monoisotopic mass268.153534 Da
  • ChemSpider ID53616900

More details:

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

1-Pyrrolidinecarboxylic acid, 3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2059993-08-5 [RN]
2-Methyl-2-propanyl 3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-[4-(Hydroxyméthyl)-1H-1,2,3-triazol-1-yl]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidine-1-carboxylate
3-(4-Hydroxymethyl-[1,2,3]triazol-1-yl)-pyrrolidine-1-carboxylic acid tert-butyl ester
MFCD29479175
tert-butyl 3-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)pyrrolidine-1-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 440.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.6±3.0 kJ/mol
    Flash Point: 220.3±31.5 °C
    Index of Refraction: 1.602
    Molar Refractivity: 69.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.63
    ACD/LogD (pH 5.5): -0.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 22.20
    ACD/LogD (pH 7.4): -0.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 22.20
    Polar Surface Area: 80 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 49.0±7.0 dyne/cm
    Molar Volume: 203.6±7.0 cm3

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