ChemSpider 2D Image | 1-{2-[(4-Chlorophenyl)sulfanyl]ethyl}-4-isobutoxypiperidine | C17H26ClNOS

1-{2-[(4-Chlorophenyl)sulfanyl]ethyl}-4-isobutoxypiperidine

  • Molecular FormulaC17H26ClNOS
  • Average mass327.912 Da
  • Monoisotopic mass327.142365 Da
  • ChemSpider ID31616269

More details:

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

1-{2-[(4-Chlorophenyl)sulfanyl]ethyl}-4-isobutoxypiperidine [ACD/IUPAC Name]
1-{2-[(4-Chlorophényl)sulfanyl]éthyl}-4-isobutoxypipéridine [French] [ACD/IUPAC Name]
1-{2-[(4-Chlorphenyl)sulfanyl]ethyl}-4-isobutoxypiperidin [German] [ACD/IUPAC Name]
Piperidine, 1-[2-[(4-chlorophenyl)thio]ethyl]-4-(2-methylpropoxy)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 421.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.6±28.7 °C
Index of Refraction: 1.561
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 11.70
ACD/KOC (pH 5.5): 44.07
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 593.33
ACD/KOC (pH 7.4): 2234.54
Polar Surface Area: 38 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 290.5±5.0 cm3

Click to predict properties on the Chemicalize site


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