ChemSpider 2D Image | 3-Ethoxy-4-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-3-cyclobutene-1,2-dione | C20H19NO4

3-Ethoxy-4-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-3-cyclobutene-1,2-dione

  • Molecular FormulaC20H19NO4
  • Average mass337.369 Da
  • Monoisotopic mass337.131409 Da
  • ChemSpider ID24723694

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Cyclobutene-1,2-dione, 3-ethoxy-4-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]- [ACD/Index Name]
3-Ethoxy-4-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-Ethoxy-4-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-Éthoxy-4-{[(1R,2S)-2-hydroxy-1,2-diphényléthyl]amino}-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 496.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 253.9±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.57
ACD/KOC (pH 5.5): 791.13
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.57
ACD/KOC (pH 7.4): 791.13
Polar Surface Area: 76 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 261.6±5.0 cm3

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