ChemSpider 2D Image | Ethyl 3-[(2,2-diethoxyethyl)(2,4-dinitrophenyl)amino]-3-oxopropanoate | C17H23N3O9

Ethyl 3-[(2,2-diethoxyethyl)(2,4-dinitrophenyl)amino]-3-oxopropanoate

  • Molecular FormulaC17H23N3O9
  • Average mass413.379 Da
  • Monoisotopic mass413.143433 Da
  • ChemSpider ID108613548

More details:

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

3-[(2,2-Diéthoxyéthyl)(2,4-dinitrophényl)amino]-3-oxopropanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-[(2,2-diethoxyethyl)(2,4-dinitrophenyl)amino]-3-oxopropanoate [ACD/IUPAC Name]
Ethyl-3-[(2,2-diethoxyethyl)(2,4-dinitrophenyl)amino]-3-oxopropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[(2,2-diethoxyethyl)(2,4-dinitrophenyl)amino]-3-oxo-, ethyl 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: 553.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.5±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.34
ACD/KOC (pH 5.5): 371.56
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.70
ACD/KOC (pH 7.4): 362.85
Polar Surface Area: 157 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 313.4±3.0 cm3

Click to predict properties on the Chemicalize site


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