ChemSpider 2D Image | tert-butyl (3S)-3-phenylpyrrolidine-1-carboxylate | C15H21NO2

tert-butyl (3S)-3-phenylpyrrolidine-1-carboxylate

  • Molecular FormulaC15H21NO2
  • Average mass247.333 Da
  • Monoisotopic mass247.157227 Da
  • ChemSpider ID28294033

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Phényl-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-phenyl-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(R)-1-Boc-3-phenylpyrrolidine
(S)-1-Boc-3-phenylpyrrolidine
(S)-1-Boc-3-Phenyl-pyrrolidine
(S)-tert-butyl 3-phenylpyrrolidine-1-carboxylate
1217849-05-2 [RN]
145549-11-7 [RN]
1-Pyrrolidinecarboxylic acid, 3-phenyl-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-phenyl-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 342.8±31.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.7±3.0 kJ/mol
    Flash Point: 161.1±24.8 °C
    Index of Refraction: 1.529
    Molar Refractivity: 71.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.09
    ACD/LogD (pH 5.5): 3.45
    ACD/BCF (pH 5.5): 245.95
    ACD/KOC (pH 5.5): 1790.49
    ACD/LogD (pH 7.4): 3.45
    ACD/BCF (pH 7.4): 245.95
    ACD/KOC (pH 7.4): 1790.49
    Polar Surface Area: 30 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 39.9±3.0 dyne/cm
    Molar Volume: 231.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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