ChemSpider 2D Image | Benzyl (3S)-3-cyano-1-pyrrolidinecarboxylate | C13H14N2O2

Benzyl (3S)-3-cyano-1-pyrrolidinecarboxylate

  • Molecular FormulaC13H14N2O2
  • Average mass230.262 Da
  • Monoisotopic mass230.105530 Da
  • ChemSpider ID23960778

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Cyano-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
193693-69-5 [RN]
1-Pyrrolidinecarboxylic acid, 3-cyano-, phenylmethyl ester, (3S)- [ACD/Index Name]
Benzyl (3S)-3-cyano-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
benzyl (3S)-3-cyanopyrrolidine-1-carboxylate
Benzyl-(3S)-3-cyan-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(3S)-3-cyano-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
(R)-1-N-Cbz-3-cyanopyrrolidine
(S)-1-Benzyloxycarbonyl-3-cyanopyrrolidine
(S)-1-Cbz-3-cyanopyrrolidine
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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: 403.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.5±3.0 kJ/mol
    Flash Point: 197.9±28.7 °C
    Index of Refraction: 1.573
    Molar Refractivity: 62.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.11
    ACD/LogD (pH 5.5): 2.09
    ACD/BCF (pH 5.5): 22.74
    ACD/KOC (pH 5.5): 325.73
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 22.74
    ACD/KOC (pH 7.4): 325.73
    Polar Surface Area: 53 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 52.8±5.0 dyne/cm
    Molar Volume: 190.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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