ChemSpider 2D Image | Ethyl N-[2-(dimethylamino)ethyl]-N-(3,5-dinitrobenzoyl)-beta-alaninate | C16H22N4O7

Ethyl N-[2-(dimethylamino)ethyl]-N-(3,5-dinitrobenzoyl)-β-alaninate

  • Molecular FormulaC16H22N4O7
  • Average mass382.368 Da
  • Monoisotopic mass382.148834 Da
  • ChemSpider ID27399251

More details:

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

Ethyl N-[2-(dimethylamino)ethyl]-N-(3,5-dinitrobenzoyl)-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[2-(dimethylamino)ethyl]-N-(3,5-dinitrobenzoyl)-β-alaninat [German] [ACD/IUPAC Name]
N-[2-(Diméthylamino)éthyl]-N-(3,5-dinitrobenzoyl)-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-(dimethylamino)ethyl]-N-(3,5-dinitrobenzoyl)-, 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: 537.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 278.9±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.29
Polar Surface Area: 141 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 294.7±3.0 cm3

Click to predict properties on the Chemicalize site


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