ChemSpider 2D Image | 3-[(3-Methylbutyl)sulfonyl]aniline | C11H17NO2S

3-[(3-Methylbutyl)sulfonyl]aniline

  • Molecular FormulaC11H17NO2S
  • Average mass227.323 Da
  • Monoisotopic mass227.097992 Da
  • ChemSpider ID30782762

More details:

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

1375068-98-6 [RN]
3-[(3-Methylbutyl)sulfonyl]anilin [German] [ACD/IUPAC Name]
3-[(3-Methylbutyl)sulfonyl]aniline [ACD/IUPAC Name]
3-[(3-Méthylbutyl)sulfonyl]aniline [French] [ACD/IUPAC Name]
3-[(3-Methylbutyl)sulfonyl]benzenamine
Benzenamine, 3-[(3-methylbutyl)sulfonyl]- [ACD/Index Name]
[1375068-98-6] [RN]
3-(3-METHYLBUTANESULFONYL)ANILINE
3-[(3-Methylbutane)sulfonyl]aniline
98%
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 418.8±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.2±3.0 kJ/mol
    Flash Point: 207.1±26.5 °C
    Index of Refraction: 1.536
    Molar Refractivity: 62.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.92
    ACD/LogD (pH 5.5): 1.18
    ACD/BCF (pH 5.5): 4.66
    ACD/KOC (pH 5.5): 104.59
    ACD/LogD (pH 7.4): 1.18
    ACD/BCF (pH 7.4): 4.66
    ACD/KOC (pH 7.4): 104.79
    Polar Surface Area: 69 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 42.2±3.0 dyne/cm
    Molar Volume: 199.9±3.0 cm3

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