ChemSpider 2D Image | 2-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)amino]-2-oxoethyl 4,5-dimethoxy-2-nitrobenzoate | C20H20N2O9

2-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)amino]-2-oxoethyl 4,5-dimethoxy-2-nitrobenzoate

  • Molecular FormulaC20H20N2O9
  • Average mass432.381 Da
  • Monoisotopic mass432.116882 Da
  • ChemSpider ID32915723

More details:

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

2-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)amino]-2-oxoethyl 4,5-dimethoxy-2-nitrobenzoate [ACD/IUPAC Name]
2-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)amino]-2-oxoethyl-4,5-dimethoxy-2-nitrobenzoat [German] [ACD/IUPAC Name]
4,5-Diméthoxy-2-nitrobenzoate de 2-[(2,3-dihydro-1,4-benzodioxin-2-ylméthyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4,5-dimethoxy-2-nitro-, 2-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]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: 695.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.1±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.55
ACD/KOC (pH 5.5): 292.27
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.55
ACD/KOC (pH 7.4): 292.27
Polar Surface Area: 138 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 320.5±3.0 cm3

Click to predict properties on the Chemicalize site


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