ChemSpider 2D Image | Benzyl (3S)-3-cyano-1-piperidinecarboxylate | C14H16N2O2

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

  • Molecular FormulaC14H16N2O2
  • Average mass244.289 Da
  • Monoisotopic mass244.121185 Da
  • ChemSpider ID29358735

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Cyano-1-pipéridinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 3-cyano-, phenylmethyl ester, (3S)- [ACD/Index Name]
Benzyl (3S)-3-cyano-1-piperidinecarboxylate [ACD/IUPAC Name]
Benzyl-(3S)-3-cyan-1-piperidincarboxylat [German] [ACD/IUPAC Name]
(S)-1-Cbz-3-Cyano-Piperidine
(S)-BENZYL 3-CYANOPIPERIDINE-1-CARBOXYLATE
1-?Piperidinecarboxylic acid, 3-?cyano-?, phenylmethyl ester, (3S)?-
1359722-09-0 [RN]
Benzyl (3S)-3-cyanopiperidine-1-carboxylate
MFCD08704686

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 416.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.0±3.0 kJ/mol
    Flash Point: 205.7±28.7 °C
    Index of Refraction: 1.565
    Molar Refractivity: 67.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.54
    ACD/LogD (pH 5.5): 2.47
    ACD/BCF (pH 5.5): 44.76
    ACD/KOC (pH 5.5): 528.81
    ACD/LogD (pH 7.4): 2.47
    ACD/BCF (pH 7.4): 44.76
    ACD/KOC (pH 7.4): 528.81
    Polar Surface Area: 53 Å2
    Polarizability: 26.7±0.5 10-24cm3
    Surface Tension: 51.4±5.0 dyne/cm
    Molar Volume: 206.9±5.0 cm3

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