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]
Benzenamine, 3-(cyclopentylsulfonyl)- [ACD/Index Name]
[80213-37-2]
3-(Cyclopentanesulfonyl)aniline
3-cyclopentylsulfonylaniline
80213-37-2 [RN]
'80213-37-2
http://en.atomaxchem.com/80213-37-2.html
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-25775]
    • Safety:

      20/21/22 Novochemy [NC-25775]
      20/21/36/37/39 Novochemy [NC-25775]
      GHS07; GHS09 Novochemy [NC-25775]
      H332; H403 Novochemy [NC-25775]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-25775]
      R52/53 Novochemy [NC-25775]
      Warning Novochemy [NC-25775]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

Click to predict properties on the Chemicalize site






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