ChemSpider 2D Image | N-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alanine | C17H18FNO3

N-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alanine

  • Molecular FormulaC17H18FNO3
  • Average mass303.328 Da
  • Monoisotopic mass303.127075 Da
  • ChemSpider ID62873647

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Alanine, N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]- [ACD/Index Name]
N-{4-[(3-Fluorbenzyl)oxy]benzyl}-L-alanin [German] [ACD/IUPAC Name]
N-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alanine [ACD/IUPAC Name]
N-{4-[(3-Fluorobenzyl)oxy]benzyl}-L-alanine [French] [ACD/IUPAC Name]
(2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl)amino]propanoic acid
(S)-2-((4-((3-Fluorobenzyl)oxy)benzyl)amino)propanoic acid
1160513-60-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 458.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 231.3±27.3 °C
Index of Refraction: 1.570
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.08
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.02
Polar Surface Area: 59 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 248.0±3.0 cm3

Click to predict properties on the Chemicalize site


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