ChemSpider 2D Image | tert-butyl 3-(cyanomethylidene)azetidine-1-carboxylate | C10H14N2O2

tert-butyl 3-(cyanomethylidene)azetidine-1-carboxylate

  • Molecular FormulaC10H14N2O2
  • Average mass194.230 Da
  • Monoisotopic mass194.105530 Da
  • ChemSpider ID27458794

More details:

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

1153949-11-1 [RN]
1-Azetidinecarboxylic acid, 3-(cyanomethylene)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(cyanomethylene)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(cyanmethylen)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(Cyanométhylène)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-(cyanomethylidene)azetidine-1-carboxylate
[1153949-11-1] [RN]
1-(Tert-butoxycarbonyl)-3-(cyanomethylene)azetidine
1-boc-3-(cyanomethylene)-azetidine
1-Boc-3-(cyanomethylene)azetidine
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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: 1.2±0.1 g/cm3
    Boiling Point: 309.7±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.0±3.0 kJ/mol
    Flash Point: 141.1±25.9 °C
    Index of Refraction: 1.578
    Molar Refractivity: 53.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.80
    ACD/LogD (pH 5.5): 1.22
    ACD/BCF (pH 5.5): 4.97
    ACD/KOC (pH 5.5): 109.59
    ACD/LogD (pH 7.4): 1.22
    ACD/BCF (pH 7.4): 4.97
    ACD/KOC (pH 7.4): 109.59
    Polar Surface Area: 53 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 58.7±3.0 dyne/cm
    Molar Volume: 159.8±3.0 cm3

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