ChemSpider 2D Image | 2-{2-[4-(Diethylamino)benzoyl]hydrazino}-2-oxoethyl 7-nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylate | C22H24N4O8

2-{2-[4-(Diethylamino)benzoyl]hydrazino}-2-oxoethyl 7-nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylate

  • Molecular FormulaC22H24N4O8
  • Average mass472.448 Da
  • Monoisotopic mass472.159424 Da
  • ChemSpider ID22027325

More details:

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

1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-7-nitro-, 2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl ester [ACD/Index Name]
2-{2-[4-(Diethylamino)benzoyl]hydrazino}-2-oxoethyl 7-nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylate [ACD/IUPAC Name]
2-{2-[4-(Diethylamino)benzoyl]hydrazino}-2-oxoethyl-7-nitro-2,3-dihydro-1,4-benzodioxin-6-carboxylat [German] [ACD/IUPAC Name]
7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylate de 2-{2-[4-(diéthylamino)benzoyl]hydrazino}-2-oxoéthyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 749.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 406.9±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 120.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.08
ACD/KOC (pH 5.5): 431.00
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.09
ACD/KOC (pH 7.4): 443.85
Polar Surface Area: 152 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 346.3±3.0 cm3

Click to predict properties on the Chemicalize site


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