ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(2-cyano-4-formylphenyl)-1-piperazinecarboxylate | C17H21N3O3

2-Methyl-2-propanyl 4-(2-cyano-4-formylphenyl)-1-piperazinecarboxylate

  • Molecular FormulaC17H21N3O3
  • Average mass315.367 Da
  • Monoisotopic mass315.158295 Da
  • ChemSpider ID26052887

More details:

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

1-Piperazinecarboxylic acid, 4-(2-cyano-4-formylphenyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(2-cyano-4-formylphenyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(2-cyan-4-formylphenyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(2-Cyano-4-formylphényl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1272756-58-7 [RN]
2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]-5-formylbenzonitrile
4-(2-Cyano-4-formylphenyl)piperazine N1-BOC protected
4-(2-Cyano-4-formylphenyl)piperazine, N1-BOC protected
4-(2-Cyano-4-formylphenyl)piperazine,N1-BOC protected
4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]-3-cyanobenzaldehyde
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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: 468.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.0±3.0 kJ/mol
    Flash Point: 236.9±28.7 °C
    Index of Refraction: 1.577
    Molar Refractivity: 85.5±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.28
    ACD/LogD (pH 5.5): 2.19
    ACD/BCF (pH 5.5): 27.28
    ACD/KOC (pH 5.5): 371.03
    ACD/LogD (pH 7.4): 2.19
    ACD/BCF (pH 7.4): 27.28
    ACD/KOC (pH 7.4): 371.04
    Polar Surface Area: 74 Å2
    Polarizability: 33.9±0.5 10-24cm3
    Surface Tension: 55.5±5.0 dyne/cm
    Molar Volume: 258.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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