ChemSpider 2D Image | 1-[3-Methoxy-4-(trifluoromethyl)phenyl]-2-propanamine | C11H14F3NO

1-[3-Methoxy-4-(trifluoromethyl)phenyl]-2-propanamine

  • Molecular FormulaC11H14F3NO
  • Average mass233.230 Da
  • Monoisotopic mass233.102753 Da
  • ChemSpider ID74961357

More details:

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

1-[3-Methoxy-4-(trifluormethyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
1-[3-Methoxy-4-(trifluoromethyl)phenyl]-2-propanamine [ACD/IUPAC Name]
1-[3-Méthoxy-4-(trifluorométhyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 3-methoxy-α-methyl-4-(trifluoromethyl)- [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: 279.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.8±3.0 kJ/mol
Flash Point: 122.6±27.3 °C
Index of Refraction: 1.467
Molar Refractivity: 55.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.37
Polar Surface Area: 35 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 28.8±3.0 dyne/cm
Molar Volume: 200.3±3.0 cm3

Click to predict properties on the Chemicalize site


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