ChemSpider 2D Image | 3-(Cyclopentylsulfonyl)aniline | C11H15NO2S

3-(Cyclopentylsulfonyl)aniline

  • Molecular FormulaC11H15NO2S
  • Average mass225.307 Da
  • Monoisotopic mass225.082352 Da
  • ChemSpider ID22241161

More details:

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

3-(Cyclopentylsulfonyl)anilin [German] [ACD/IUPAC Name]
3-(Cyclopentylsulfonyl)aniline [ACD/IUPAC Name]
3-(Cyclopentylsulfonyl)aniline [French] [ACD/IUPAC Name]
80213-37-2 [RN]
Benzenamine, 3-(cyclopentylsulfonyl)- [ACD/Index Name]
[80213-37-2] [RN]
1-oxo-2H-isoquinoline-6-carbaldehyde
1-oxo-2H-isoquinoline-6-carboxaldehyde
3-(Cyclopentanesulfonyl)aniline
3-cyclopentylsulfonylaniline
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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: 1.3±0.1 g/cm3
    Boiling Point: 454.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.5±3.0 kJ/mol
    Flash Point: 228.9±26.5 °C
    Index of Refraction: 1.591
    Molar Refractivity: 60.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.47
    ACD/LogD (pH 5.5): 1.06
    ACD/BCF (pH 5.5): 3.75
    ACD/KOC (pH 5.5): 89.63
    ACD/LogD (pH 7.4): 1.06
    ACD/BCF (pH 7.4): 3.76
    ACD/KOC (pH 7.4): 89.79
    Polar Surface Area: 69 Å2
    Polarizability: 23.9±0.5 10-24cm3
    Surface Tension: 52.6±3.0 dyne/cm
    Molar Volume: 178.3±3.0 cm3

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