ChemSpider 2D Image | 3-{Methyl[2-(trifluoromethyl)benzyl]amino}-1,2-propanediol | C12H16F3NO2

3-{Methyl[2-(trifluoromethyl)benzyl]amino}-1,2-propanediol

  • Molecular FormulaC12H16F3NO2
  • Average mass263.256 Da
  • Monoisotopic mass263.113312 Da
  • ChemSpider ID29673527

More details:






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

1,2-Propanediol, 3-[methyl[[2-(trifluoromethyl)phenyl]methyl]amino]- [ACD/Index Name]
3-{Methyl[2-(trifluormethyl)benzyl]amino}-1,2-propandiol [German] [ACD/IUPAC Name]
3-{Methyl[2-(trifluoromethyl)benzyl]amino}-1,2-propanediol [ACD/IUPAC Name]
3-{Méthyl[2-(trifluorométhyl)benzyl]amino}-1,2-propanediol [French] [ACD/IUPAC Name]
3-{methyl[2-(trifluoromethyl)benzyl]amino}propane-1,2-diol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 335.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 156.6±27.9 °C
Index of Refraction: 1.503
Molar Refractivity: 61.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.41
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 4.34
ACD/KOC (pH 7.4): 83.91
Polar Surface Area: 44 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 207.9±3.0 cm3

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