ChemSpider 2D Image | 1-Boc-4-ethynyl-4-methylpiperidine | C13H21NO2

1-Boc-4-ethynyl-4-methylpiperidine

  • Molecular FormulaC13H21NO2
  • Average mass223.311 Da
  • Monoisotopic mass223.157227 Da
  • ChemSpider ID28467255

More details:






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

1363383-17-8 [RN]
1-Boc-4-ethynyl-4-methylpiperidine
1-Piperidinecarboxylic acid, 4-ethynyl-4-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-ethynyl-4-methyl-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-ethinyl-4-methyl-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-Éthynyl-4-méthyl-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
4-ethynyl-4-methyl-piperidine-1-carboxylic acid tert-butyl ester
Chemistry 8589
DS-7674
MFCD20926166 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.0±0.1 g/cm3
    Boiling Point: 276.6±29.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.5±3.0 kJ/mol
    Flash Point: 121.1±24.3 °C
    Index of Refraction: 1.491
    Molar Refractivity: 63.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.60
    ACD/LogD (pH 5.5): 2.89
    ACD/BCF (pH 5.5): 92.25
    ACD/KOC (pH 5.5): 887.46
    ACD/LogD (pH 7.4): 2.89
    ACD/BCF (pH 7.4): 92.25
    ACD/KOC (pH 7.4): 887.46
    Polar Surface Area: 30 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 37.6±5.0 dyne/cm
    Molar Volume: 220.1±5.0 cm3

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