ChemSpider 2D Image | 3-[(2-Furylmethyl)amino]-4-{[2-hydroxy-3-(4-morpholinyl)propyl]amino}-3-cyclobutene-1,2-dione | C16H21N3O5

3-[(2-Furylmethyl)amino]-4-{[2-hydroxy-3-(4-morpholinyl)propyl]amino}-3-cyclobutene-1,2-dione

  • Molecular FormulaC16H21N3O5
  • Average mass335.355 Da
  • Monoisotopic mass335.148132 Da
  • ChemSpider ID27327573

More details:






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

3-[(2-Furylmethyl)amino]-4-{[2-hydroxy-3-(4-morpholinyl)propyl]amino}-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-[(2-Furylmethyl)amino]-4-{[2-hydroxy-3-(4-morpholinyl)propyl]amino}-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-[(2-Furylméthyl)amino]-4-{[2-hydroxy-3-(4-morpholinyl)propyl]amino}-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]
3-Cyclobutene-1,2-dione, 3-[(2-furanylmethyl)amino]-4-[[2-hydroxy-3-(4-morpholinyl)propyl]amino]- [ACD/Index Name]
1282129-57-0 [RN]
3-(furan-2-ylmethylamino)-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione
3-[(furan-2-ylmethyl)amino]-4-{[2-hydroxy-3-(morpholin-4-yl)propyl]amino}cyclobut-3-ene-1,2-dione

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 547.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 284.8±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 84.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.81
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.82
Polar Surface Area: 104 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 244.3±5.0 cm3

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