ChemSpider 2D Image | 5,6-Dimethyl-2-[(4-methylphenyl)sulfonyl]-2,3,4,7-tetrahydro-1H-cycloocta[c]pyrrole | C19H23NO2S

5,6-Dimethyl-2-[(4-methylphenyl)sulfonyl]-2,3,4,7-tetrahydro-1H-cycloocta[c]pyrrole

  • Molecular FormulaC19H23NO2S
  • Average mass329.456 Da
  • Monoisotopic mass329.144958 Da
  • ChemSpider ID21199657

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Cycloocta[c]pyrrole, 2,3,4,7-tetrahydro-5,6-dimethyl-2-[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
5,6-Dimethyl-2-[(4-methylphenyl)sulfonyl]-2,3,4,7-tetrahydro-1H-cycloocta[c]pyrrol [German] [ACD/IUPAC Name]
5,6-Dimethyl-2-[(4-methylphenyl)sulfonyl]-2,3,4,7-tetrahydro-1H-cycloocta[c]pyrrole [ACD/IUPAC Name]
5,6-Diméthyl-2-[(4-méthylphényl)sulfonyl]-2,3,4,7-tétrahydro-1H-cycloocta[c]pyrrole [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 494.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.8±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2445.67
ACD/KOC (pH 5.5): 9268.53
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2445.67
ACD/KOC (pH 7.4): 9268.53
Polar Surface Area: 46 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 270.2±5.0 cm3

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