ChemSpider 2D Image | 2-(2-Methyl-4-morpholinyl)-2-oxoethyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoate | C18H21N3O8

2-(2-Methyl-4-morpholinyl)-2-oxoethyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoate

  • Molecular FormulaC18H21N3O8
  • Average mass407.375 Da
  • Monoisotopic mass407.132874 Da
  • ChemSpider ID33077970

More details:

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

2-(2-Methyl-4-morpholinyl)-2-oxoethyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoate [ACD/IUPAC Name]
2-(2-Methyl-4-morpholinyl)-2-oxoethyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoat [German] [ACD/IUPAC Name]
3(2H)-Benzoxazolebutanoic acid, 6-nitro-2-oxo-, 2-(2-methyl-4-morpholinyl)-2-oxoethyl ester [ACD/Index Name]
4-(6-Nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)butanoate de 2-(2-méthyl-4-morpholinyl)-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 620.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 328.9±34.3 °C
Index of Refraction: 1.572
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.27
ACD/KOC (pH 5.5): 184.38
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.27
ACD/KOC (pH 7.4): 184.38
Polar Surface Area: 131 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 294.3±3.0 cm3

Click to predict properties on the Chemicalize site


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