ChemSpider 2D Image | 1-[3-(Methylsulfonyl)-4-nitrophenyl]piperazine | C11H15N3O4S

1-[3-(Methylsulfonyl)-4-nitrophenyl]piperazine

  • Molecular FormulaC11H15N3O4S
  • Average mass285.319 Da
  • Monoisotopic mass285.078339 Da
  • ChemSpider ID24605526

More details:

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

1-[3-(Methylsulfonyl)-4-nitrophenyl]piperazin [German] [ACD/IUPAC Name]
1-[3-(Methylsulfonyl)-4-nitrophenyl]piperazine [ACD/IUPAC Name]
1-[3-(Méthylsulfonyl)-4-nitrophényl]pipérazine [French] [ACD/IUPAC Name]
1197193-08-0 [RN]
Piperazine, 1-[3-(methylsulfonyl)-4-nitrophenyl]- [ACD/Index Name]
1-(3-(methylsulfonyl)-4-nitrophenyl)piperazine
1-(3-METHANESULFONYL-4-NITROPHENYL)PIPERAZINE
1-(3-methylsulfonyl-4-nitrophenyl)piperazine
3-(Boc-amino)-3-pyrrolidinecarboxylic Acid
869786-49-2 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 555.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.6±3.0 kJ/mol
    Flash Point: 289.5±30.1 °C
    Index of Refraction: 1.579
    Molar Refractivity: 70.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.02
    ACD/LogD (pH 5.5): -2.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.77
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.68
    Polar Surface Area: 104 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 50.7±3.0 dyne/cm
    Molar Volume: 211.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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