ChemSpider 2D Image | 1-(3,5-Difluorophenyl)-3-(4-thiomorpholinyl)-1-propanamine | C13H18F2N2S

1-(3,5-Difluorophenyl)-3-(4-thiomorpholinyl)-1-propanamine

  • Molecular FormulaC13H18F2N2S
  • Average mass272.357 Da
  • Monoisotopic mass272.115875 Da
  • ChemSpider ID47420024

More details:

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

1-(3,5-Difluorophenyl)-3-(4-thiomorpholinyl)-1-propanamine [ACD/IUPAC Name]
1-(3,5-Difluorophényl)-3-(4-thiomorpholinyl)-1-propanamine [French] [ACD/IUPAC Name]
1-(3,5-Difluorphenyl)-3-(4-thiomorpholinyl)-1-propanamin [German] [ACD/IUPAC Name]
4-Thiomorpholinepropanamine, α-(3,5-difluorophenyl)- [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: 383.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 185.7±27.9 °C
Index of Refraction: 1.555
Molar Refractivity: 72.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 19.24
Polar Surface Area: 55 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 224.6±3.0 cm3

Click to predict properties on the Chemicalize site


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