ChemSpider 2D Image | 2-(4-Fluorophenyl)-7-[(4-methylphenyl)sulfanyl]-1-heptanamine | C20H26FNS

2-(4-Fluorophenyl)-7-[(4-methylphenyl)sulfanyl]-1-heptanamine

  • Molecular FormulaC20H26FNS
  • Average mass331.491 Da
  • Monoisotopic mass331.177002 Da
  • ChemSpider ID25038467

More details:

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

2-(4-Fluorophenyl)-7-[(4-methylphenyl)sulfanyl]-1-heptanamine [ACD/IUPAC Name]
2-(4-Fluorophényl)-7-[(4-méthylphényl)sulfanyl]-1-heptanamine [French] [ACD/IUPAC Name]
2-(4-Fluorphenyl)-7-[(4-methylphenyl)sulfanyl]-1-heptanamin [German] [ACD/IUPAC Name]
Benzeneethanamine, 4-fluoro-β-[5-[(4-methylphenyl)thio]pentyl]- [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: 455.6±45.0 °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: 229.4±28.7 °C
Index of Refraction: 1.575
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 4.70
ACD/KOC (pH 5.5): 14.08
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 24.28
ACD/KOC (pH 7.4): 72.67
Polar Surface Area: 51 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 303.4±5.0 cm3

Click to predict properties on the Chemicalize site


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