ChemSpider 2D Image | tert-butyl 3-acetylpyrrolidine-1-carboxylate | C11H19NO3

tert-butyl 3-acetylpyrrolidine-1-carboxylate

  • Molecular FormulaC11H19NO3
  • Average mass213.273 Da
  • Monoisotopic mass213.136490 Da
  • ChemSpider ID24597727

More details:

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

1-Pyrrolidinecarboxylic acid, 3-acetyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-acetyl-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-acetyl-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-Acétyl-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
858643-95-5 [RN]
tert-butyl 3-acetylpyrrolidine-1-carboxylate
(R)-3-Acetyl-1-Boc-pyrrolidine
(S)-3-Acetyl-1-Boc-pyrrolidine
[858643-95-5] [RN]
1374673-69-4 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 293.8±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.3±3.0 kJ/mol
    Flash Point: 131.5±25.4 °C
    Index of Refraction: 1.477
    Molar Refractivity: 56.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.78
    ACD/LogD (pH 5.5): 1.12
    ACD/BCF (pH 5.5): 4.20
    ACD/KOC (pH 5.5): 97.17
    ACD/LogD (pH 7.4): 1.12
    ACD/BCF (pH 7.4): 4.20
    ACD/KOC (pH 7.4): 97.17
    Polar Surface Area: 47 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 38.1±3.0 dyne/cm
    Molar Volume: 198.2±3.0 cm3

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