ChemSpider 2D Image | 1-[(4-Chlorobutyl)sulfonyl]octahydro-1H-cyclopenta[b]pyridine | C12H22ClNO2S

1-[(4-Chlorobutyl)sulfonyl]octahydro-1H-cyclopenta[b]pyridine

  • Molecular FormulaC12H22ClNO2S
  • Average mass279.827 Da
  • Monoisotopic mass279.105988 Da
  • ChemSpider ID49082259

More details:

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

1-[(4-Chlorbutyl)sulfonyl]octahydro-1H-cyclopenta[b]pyridin [German] [ACD/IUPAC Name]
1-[(4-Chlorobutyl)sulfonyl]octahydro-1H-cyclopenta[b]pyridine [ACD/IUPAC Name]
1-[(4-Chlorobutyl)sulfonyl]octahydro-1H-cyclopenta[b]pyridine [French] [ACD/IUPAC Name]
1H-Cyclopenta[b]pyridine, 1-[(4-chlorobutyl)sulfonyl]octahydro- [ACD/Index 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: 402.9±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.5±29.3 °C
Index of Refraction: 1.534
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 343.30
ACD/KOC (pH 5.5): 2273.21
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 343.30
ACD/KOC (pH 7.4): 2273.21
Polar Surface Area: 46 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 228.3±5.0 cm3

Click to predict properties on the Chemicalize site


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