ChemSpider 2D Image | {3-[(1R)-1,2-Diaminoethyl]-5-fluoro-4-hydroxyphenyl}acetic acid | C10H13FN2O3

{3-[(1R)-1,2-Diaminoethyl]-5-fluoro-4-hydroxyphenyl}acetic acid

  • Molecular FormulaC10H13FN2O3
  • Average mass228.220 Da
  • Monoisotopic mass228.091019 Da
  • ChemSpider ID27448540

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{3-[(1R)-1,2-Diaminoethyl]-5-fluor-4-hydroxyphenyl}essigsäure [German] [ACD/IUPAC Name]
{3-[(1R)-1,2-Diaminoethyl]-5-fluoro-4-hydroxyphenyl}acetic acid [ACD/IUPAC Name]
Acide {3-[(1R)-1,2-diaminoéthyl]-5-fluoro-4-hydroxyphényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[(1R)-1,2-diaminoethyl]-5-fluoro-4-hydroxy- [ACD/Index Name]
2-[3-((1R)-1,2-DIAMINOETHYL)-5-FLUORO-4-HYDROXYPHENYL]ACETIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 444.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 222.4±27.3 °C
Index of Refraction: 1.613
Molar Refractivity: 55.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.49
ACD/LogD (pH 5.5): -3.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 160.4±3.0 cm3

Click to predict properties on the Chemicalize site


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