ChemSpider 2D Image | N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-[3-(trifluoromethyl)phenyl]ethanamine | C21H21F3N2OS

N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-[3-(trifluoromethyl)phenyl]ethanamine

  • Molecular FormulaC21H21F3N2OS
  • Average mass406.464 Da
  • Monoisotopic mass406.132660 Da
  • ChemSpider ID31555863

More details:

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

4-Thiazolemethanamine, 2-[(4-methylphenoxy)methyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]- [ACD/Index Name]
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-[3-(trifluormethyl)phenyl]ethanamin [German] [ACD/IUPAC Name]
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-1-[3-(trifluoromethyl)phenyl]ethanamine [ACD/IUPAC Name]
N-({2-[(4-Méthylphénoxy)méthyl]-1,3-thiazol-4-yl}méthyl)-1-[3-(trifluorométhyl)phényl]éthanamine [French] [ACD/IUPAC 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: 475.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.1±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 1274.56
ACD/KOC (pH 5.5): 2905.18
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 12913.78
ACD/KOC (pH 7.4): 29435.06
Polar Surface Area: 62 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 326.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement