ChemSpider 2D Image | tert-Butyl 3-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate | C13H22N4O2

tert-Butyl 3-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate

  • Molecular FormulaC13H22N4O2
  • Average mass266.339 Da
  • Monoisotopic mass266.174286 Da
  • ChemSpider ID27547806

More details:

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

1541127-24-5 [RN]
1-Piperidinecarboxylic acid, 3-(5-methyl-4H-1,2,4-triazol-3-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(3-methyl-1H-1,2,4-triazol-5-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-(3-Méthyl-1H-1,2,4-triazol-5-yl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
3-(5-Methyl-2H-[1,2,4]triazol-3-yl)-piperidine-1-carboxylic acid tert-butyl ester
AKOS016042588
AKOS023120608
MFCD26526955
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 437.0±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.4±3.0 kJ/mol
    Flash Point: 218.1±25.7 °C
    Index of Refraction: 1.533
    Molar Refractivity: 71.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.90
    ACD/LogD (pH 5.5): 1.89
    ACD/BCF (pH 5.5): 16.01
    ACD/KOC (pH 5.5): 251.96
    ACD/LogD (pH 7.4): 1.90
    ACD/BCF (pH 7.4): 16.32
    ACD/KOC (pH 7.4): 256.78
    Polar Surface Area: 71 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 50.1±3.0 dyne/cm
    Molar Volume: 229.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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