ChemSpider 2D Image | 2-{[2-(3,4-Difluorophenyl)ethyl]amino}-2-methyl-1,3-propanediol | C12H17F2NO2

2-{[2-(3,4-Difluorophenyl)ethyl]amino}-2-methyl-1,3-propanediol

  • Molecular FormulaC12H17F2NO2
  • Average mass245.266 Da
  • Monoisotopic mass245.122742 Da
  • ChemSpider ID35162046

More details:

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

1,3-Propanediol, 2-[[2-(3,4-difluorophenyl)ethyl]amino]-2-methyl- [ACD/Index Name]
2-{[2-(3,4-Difluorophenyl)ethyl]amino}-2-methyl-1,3-propanediol [ACD/IUPAC Name]
2-{[2-(3,4-Difluorophényl)éthyl]amino}-2-méthyl-1,3-propanediol [French] [ACD/IUPAC Name]
2-{[2-(3,4-Difluorphenyl)ethyl]amino}-2-methyl-1,3-propandiol [German] [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: 383.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 185.5±26.5 °C
Index of Refraction: 1.520
Molar Refractivity: 61.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 37.27
Polar Surface Area: 52 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 200.6±3.0 cm3

Click to predict properties on the Chemicalize site


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