ChemSpider 2D Image | 2-{[3-(2-Methyl-2-propanyl)-1,2-oxazol-5-yl]amino}-2-oxoethyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate | C19H24N4O7

2-{[3-(2-Methyl-2-propanyl)-1,2-oxazol-5-yl]amino}-2-oxoethyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate

  • Molecular FormulaC19H24N4O7
  • Average mass420.417 Da
  • Monoisotopic mass420.164490 Da
  • ChemSpider ID22038490

More details:

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

2-[(2-Méthoxyéthyl)amino]-5-nitrobenzoate de 2-{[3-(2-méthyl-2-propanyl)-1,2-oxazol-5-yl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
2-{[3-(2-Methyl-2-propanyl)-1,2-oxazol-5-yl]amino}-2-oxoethyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate [ACD/IUPAC Name]
2-{[3-(2-Methyl-2-propanyl)-1,2-oxazol-5-yl]amino}-2-oxoethyl-2-[(2-methoxyethyl)amino]-5-nitrobenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-[(2-methoxyethyl)amino]-5-nitro-, 2-[[3-(1,1-dimethylethyl)-5-isoxazolyl]amino]-2-oxoethyl ester [ACD/Index 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: 666.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.7±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 107.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 234.62
ACD/KOC (pH 5.5): 1731.04
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 234.53
ACD/KOC (pH 7.4): 1730.41
Polar Surface Area: 149 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 318.2±3.0 cm3

Click to predict properties on the Chemicalize site


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