ChemSpider 2D Image | N-(3-Fluorobenzyl)-N-hexyl-3-(methylsulfanyl)aniline | C20H26FNS

N-(3-Fluorobenzyl)-N-hexyl-3-(methylsulfanyl)aniline

  • Molecular FormulaC20H26FNS
  • Average mass331.491 Da
  • Monoisotopic mass331.177002 Da
  • ChemSpider ID102837224

More details:

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

Benzenemethanamine, 3-fluoro-N-hexyl-N-[3-(methylthio)phenyl]- [ACD/Index Name]
N-(3-Fluorbenzyl)-N-hexyl-3-(methylsulfanyl)anilin [German] [ACD/IUPAC Name]
N-(3-Fluorobenzyl)-N-hexyl-3-(methylsulfanyl)aniline [ACD/IUPAC Name]
N-(3-Fluorobenzyl)-N-hexyl-3-(méthylsulfanyl)aniline [French] [ACD/IUPAC 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: 452.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.7±25.9 °C
Index of Refraction: 1.572
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 137723.66
ACD/KOC (pH 5.5): 163825.75
ACD/LogD (pH 7.4): 7.09
ACD/BCF (pH 7.4): 144143.91
ACD/KOC (pH 7.4): 171462.81
Polar Surface Area: 29 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 305.6±5.0 cm3

Click to predict properties on the Chemicalize site


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