ChemSpider 2D Image | 4-METHANESULFONYL-3-(4-METHYLPIPERAZIN-1-YL)BENZOIC ACID | C13H18N2O4S

4-METHANESULFONYL-3-(4-METHYLPIPERAZIN-1-YL)BENZOIC ACID

  • Molecular FormulaC13H18N2O4S
  • Average mass298.358 Da
  • Monoisotopic mass298.098724 Da
  • ChemSpider ID24605549

More details:

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

1197193-05-7 [RN]
3-(4-Methyl-1-piperazinyl)-4-(methylsulfonyl)benzoesäure [German] [ACD/IUPAC Name]
3-(4-Methyl-1-piperazinyl)-4-(methylsulfonyl)benzoic acid [ACD/IUPAC Name]
3-(4-methylpiperazin-1-yl)-4-(methylsulfonyl)benzoic acid
4-METHANESULFONYL-3-(4-METHYLPIPERAZIN-1-YL)BENZOIC ACID
Acide 3-(4-méthyl-1-pipérazinyl)-4-(méthylsulfonyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(4-methyl-1-piperazinyl)-4-(methylsulfonyl)- [ACD/Index Name]
[1197193-05-7] [RN]
3-(4-Methyl-1-piperazinyl)-4-(methylsulfonyl)benzoicAcid
3-(4-Methylpiperazin-1-yl)-4-(methylsulfonyl)benzoicAcid
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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: 534.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.4±3.0 kJ/mol
    Flash Point: 277.2±30.1 °C
    Index of Refraction: 1.578
    Molar Refractivity: 75.3±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.25
    ACD/LogD (pH 5.5): -1.77
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.96
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 86 Å2
    Polarizability: 29.9±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 227.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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