ChemSpider 2D Image | 3-[Ethyl(2-fluorobenzyl)amino]-1,2-propanediol | C12H18FNO2

3-[Ethyl(2-fluorobenzyl)amino]-1,2-propanediol

  • Molecular FormulaC12H18FNO2
  • Average mass227.275 Da
  • Monoisotopic mass227.132156 Da
  • ChemSpider ID29560599

More details:

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

1,2-Propanediol, 3-[ethyl[(2-fluorophenyl)methyl]amino]- [ACD/Index Name]
3-[Ethyl(2-fluorbenzyl)amino]-1,2-propandiol [German] [ACD/IUPAC Name]
3-[Ethyl(2-fluorobenzyl)amino]-1,2-propanediol [ACD/IUPAC Name]
3-[Éthyl(2-fluorobenzyl)amino]-1,2-propanediol [French] [ACD/IUPAC Name]
3-[ethyl(2-fluorobenzyl)amino]propane-1,2-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: 353.5±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 167.6±22.1 °C
Index of Refraction: 1.538
Molar Refractivity: 61.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.49
ACD/KOC (pH 7.4): 57.44
Polar Surface Area: 44 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 195.1±3.0 cm3

Click to predict properties on the Chemicalize site


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