ChemSpider 2D Image | 4-(3-{[2-(1,3-Dioxan-2-yl)ethyl]amino}-2-[(4-methyl-3,5-dinitrobenzoyl)amino]-3-oxopropyl)phenyl acetate | C25H28N4O10

4-(3-{[2-(1,3-Dioxan-2-yl)ethyl]amino}-2-[(4-methyl-3,5-dinitrobenzoyl)amino]-3-oxopropyl)phenyl acetate

  • Molecular FormulaC25H28N4O10
  • Average mass544.511 Da
  • Monoisotopic mass544.180542 Da
  • ChemSpider ID121157186

More details:

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

4-(3-{[2-(1,3-Dioxan-2-yl)ethyl]amino}-2-[(4-methyl-3,5-dinitrobenzoyl)amino]-3-oxopropyl)phenyl acetate [ACD/IUPAC Name]
4-(3-{[2-(1,3-Dioxan-2-yl)ethyl]amino}-2-[(4-methyl-3,5-dinitrobenzoyl)amino]-3-oxopropyl)phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-(3-{[2-(1,3-dioxan-2-yl)éthyl]amino}-2-[(4-méthyl-3,5-dinitrobenzoyl)amino]-3-oxopropyl)phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-N-[2-(1,3-dioxan-2-yl)ethyl]-α-[(4-methyl-3,5-dinitrobenzoyl)amino]- [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: 745.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.5±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.60
ACD/KOC (pH 5.5): 271.12
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.60
ACD/KOC (pH 7.4): 271.06
Polar Surface Area: 195 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 405.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement