ChemSpider 2D Image | (S)-tert-Butyl 3-(cyanomethyl)piperidine-1-carboxylate | C12H20N2O2

(S)-tert-Butyl 3-(cyanomethyl)piperidine-1-carboxylate

  • Molecular FormulaC12H20N2O2
  • Average mass224.299 Da
  • Monoisotopic mass224.152481 Da
  • ChemSpider ID23955294

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(Cyanométhyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-tert-Butyl 3-(cyanomethyl)piperidine-1-carboxylate
1217710-12-7 [RN]
1-Piperidinecarboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-(cyanomethyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-(cyanmethyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
(S)-1-Boc-3-(Cyanomethyl)Piperidine
(S)-tert-Butyl3-(cyanomethyl)piperidine-1-carboxylate
[1217710-12-7] [RN]
MFCD08272979 [MDL number]
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 344.3±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.8±3.0 kJ/mol
    Flash Point: 162.0±20.4 °C
    Index of Refraction: 1.475
    Molar Refractivity: 60.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.12
    ACD/LogD (pH 5.5): 2.21
    ACD/BCF (pH 5.5): 28.05
    ACD/KOC (pH 5.5): 378.45
    ACD/LogD (pH 7.4): 2.21
    ACD/BCF (pH 7.4): 28.05
    ACD/KOC (pH 7.4): 378.45
    Polar Surface Area: 53 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 38.3±3.0 dyne/cm
    Molar Volume: 215.7±3.0 cm3

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