ChemSpider 2D Image | (2S)-2-Benzyl-N-(4-fluorobenzyl)-N'-hydroxypropanediimidic acid | C17H17FN2O3

(2S)-2-Benzyl-N-(4-fluorobenzyl)-N'-hydroxypropanediimidic acid

  • Molecular FormulaC17H17FN2O3
  • Average mass316.327 Da
  • Monoisotopic mass316.122314 Da
  • ChemSpider ID57642396

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Benzyl-N-(4-fluorbenzyl)-N'-hydroxypropandiimidsäure [German] [ACD/IUPAC Name]
(2S)-2-Benzyl-N-(4-fluorobenzyl)-N'-hydroxypropanediimidic acid [ACD/IUPAC Name]
Acide (2S)-2-benzyl-N-(4-fluorobenzyl)-N'-hydroxypropanediimidique [French] [ACD/IUPAC Name]
Propanediimidic acid, N1-[(4-fluorophenyl)methyl]-N3-hydroxy-2-(phenylmethyl)-, (2S)- [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: 567.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 296.7±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 84.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 18.04
ACD/KOC (pH 5.5): 169.32
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 16.74
ACD/KOC (pH 7.4): 157.04
Polar Surface Area: 85 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 253.4±7.0 cm3

Click to predict properties on the Chemicalize site


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