ChemSpider 2D Image | 2-{[1-(4-Fluorophenyl)propyl]amino}-1,3-propanediol | C12H18FNO2

2-{[1-(4-Fluorophenyl)propyl]amino}-1,3-propanediol

  • Molecular FormulaC12H18FNO2
  • Average mass227.275 Da
  • Monoisotopic mass227.132156 Da
  • ChemSpider ID29622441

More details:

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

1,3-Propanediol, 2-[[1-(4-fluorophenyl)propyl]amino]- [ACD/Index Name]
2-{[1-(4-Fluorophenyl)propyl]amino}-1,3-propanediol [ACD/IUPAC Name]
2-{[1-(4-Fluorophényl)propyl]amino}-1,3-propanediol [French] [ACD/IUPAC Name]
2-{[1-(4-Fluorphenyl)propyl]amino}-1,3-propandiol [German] [ACD/IUPAC Name]
2-{[1-(4-fluorophenyl)propyl]amino}propane-1,3-diol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 373.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 179.9±25.1 °C
Index of Refraction: 1.530
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: 2.09
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.22
Polar Surface Area: 52 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 197.4±3.0 cm3

Click to predict properties on the Chemicalize site


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