ChemSpider 2D Image | tert-butyl 4-(cyanomethylene)piperidine-1-carboxylate | C12H18N2O2

tert-butyl 4-(cyanomethylene)piperidine-1-carboxylate

  • Molecular FormulaC12H18N2O2
  • Average mass222.283 Da
  • Monoisotopic mass222.136826 Da
  • ChemSpider ID24765296

More details:

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

197569-11-2 [RN]
1-Piperidinecarboxylic acid, 4-(cyanomethylene)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(cyanomethylene)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(cyanmethylen)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(Cyanométhylène)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-(cyanomethylene)piperidine-1-carboxylate
(R)-2-(Methylamino)pentanedioic acid
[197569-11-2] [RN]
1-Boc-4-(cyanomethylene)piperidine
1-Boc-4-cyanomethylenepiperidine
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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: 343.6±35.0 °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: 161.6±25.9 °C
    Index of Refraction: 1.550
    Molar Refractivity: 62.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.58
    ACD/LogD (pH 5.5): 1.98
    ACD/BCF (pH 5.5): 18.68
    ACD/KOC (pH 5.5): 282.98
    ACD/LogD (pH 7.4): 1.98
    ACD/BCF (pH 7.4): 18.68
    ACD/KOC (pH 7.4): 282.98
    Polar Surface Area: 53 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 51.2±3.0 dyne/cm
    Molar Volume: 195.3±3.0 cm3

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