ChemSpider 2D Image | tert-Butyl 3-ethynyl-1-pyrrolidinecarboxylate | C11H17NO2

tert-Butyl 3-ethynyl-1-pyrrolidinecarboxylate

  • Molecular FormulaC11H17NO2
  • Average mass195.258 Da
  • Monoisotopic mass195.125931 Da
  • ChemSpider ID24598972

More details:

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

1-Pyrrolidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester [ACD/Index Name]
287193-00-4 [RN]
2-Methyl-2-propanyl 3-ethynyl-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-ethinyl-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-Éthynyl-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
MFCD10698160 [MDL number]
tert-Butyl 3-ethynyl-1-pyrrolidinecarboxylate
tert-butyl 3-ethynylpyrrolidine-1-carboxylate
(R)-1-Boc-3-ethynylpyrrolidine
(S)-1-Boc-3-ethynylpyrrolidine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 249.2±29.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.6±3.0 kJ/mol
    Flash Point: 104.5±24.3 °C
    Index of Refraction: 1.492
    Molar Refractivity: 54.5±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.59
    ACD/LogD (pH 5.5): 1.87
    ACD/BCF (pH 5.5): 15.57
    ACD/KOC (pH 5.5): 248.36
    ACD/LogD (pH 7.4): 1.87
    ACD/BCF (pH 7.4): 15.57
    ACD/KOC (pH 7.4): 248.36
    Polar Surface Area: 30 Å2
    Polarizability: 21.6±0.5 10-24cm3
    Surface Tension: 38.3±5.0 dyne/cm
    Molar Volume: 187.6±5.0 cm3

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