ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[(4-ethynylphenyl)sulfonyl]-1-piperazinecarboxylate | C17H22N2O4S

2-Methyl-2-propanyl 4-[(4-ethynylphenyl)sulfonyl]-1-piperazinecarboxylate

  • Molecular FormulaC17H22N2O4S
  • Average mass350.433 Da
  • Monoisotopic mass350.130035 Da
  • ChemSpider ID29304888

More details:

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

1162257-02-4 [RN]
1-Piperazinecarboxylic acid, 4-[(4-ethynylphenyl)sulfonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(4-ethynylphenyl)sulfonyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(4-ethinylphenyl)sulfonyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(4-Ethynylbenzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester
4-[(4-Éthynylphényl)sulfonyl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(E)-3-(4-methylphenyl)-2-propenoate
(E)-3-(p-tolyl)prop-2-enoate;4-Methylcinnamic acid
4-(4-Ethynylbenzenesulfonyl)-piperazine-1-carboxylicacidtert-butylester
861205-27-8 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 474.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.8±3.0 kJ/mol
    Flash Point: 241.0±31.5 °C
    Index of Refraction: 1.591
    Molar Refractivity: 91.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.41
    ACD/LogD (pH 5.5): 2.59
    ACD/BCF (pH 5.5): 54.74
    ACD/KOC (pH 5.5): 610.76
    ACD/LogD (pH 7.4): 2.59
    ACD/BCF (pH 7.4): 54.74
    ACD/KOC (pH 7.4): 610.76
    Polar Surface Area: 75 Å2
    Polarizability: 36.4±0.5 10-24cm3
    Surface Tension: 56.9±5.0 dyne/cm
    Molar Volume: 271.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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