ChemSpider 2D Image | (1Z)-N-Benzyl-3-fluoro-4-methyl-1-[(4-methylphenyl)sulfonyl]-1,3-pentadien-2-amine | C20H22FNO2S

(1Z)-N-Benzyl-3-fluoro-4-methyl-1-[(4-methylphenyl)sulfonyl]-1,3-pentadien-2-amine

  • Molecular FormulaC20H22FNO2S
  • Average mass359.458 Da
  • Monoisotopic mass359.135529 Da
  • ChemSpider ID30658787

  • Double-bond stereo - Double-bond stereo

More details:

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

(1Z)-N-Benzyl-3-fluor-4-methyl-1-[(4-methylphenyl)sulfonyl]-1,3-pentadien-2-amin [German] [ACD/IUPAC Name]
(1Z)-N-Benzyl-3-fluoro-4-methyl-1-[(4-methylphenyl)sulfonyl]-1,3-pentadien-2-amine [ACD/IUPAC Name]
(1Z)-N-Benzyl-3-fluoro-4-méthyl-1-[(4-méthylphényl)sulfonyl]-1,3-pentadién-2-amine [French] [ACD/IUPAC Name]
Benzenemethanamine, N-[(1Z)-2-fluoro-3-methyl-1-[[(4-methylphenyl)sulfonyl]methylene]-2-buten-1-yl]- [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: 513.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 264.6±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1694.34
ACD/KOC (pH 5.5): 7103.52
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1713.99
ACD/KOC (pH 7.4): 7185.93
Polar Surface Area: 55 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 308.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement