ChemSpider 2D Image | 4-({[2-(Diethylamino)ethyl]carbamoyl}amino)phenyl 3,5-dinitrobenzoate | C20H23N5O7

4-({[2-(Diethylamino)ethyl]carbamoyl}amino)phenyl 3,5-dinitrobenzoate

  • Molecular FormulaC20H23N5O7
  • Average mass445.426 Da
  • Monoisotopic mass445.159760 Da
  • ChemSpider ID59634370

More details:

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

3,5-Dinitrobenzoate de 4-({[2-(diéthylamino)éthyl]carbamoyl}amino)phényle [French] [ACD/IUPAC Name]
4-({[2-(Diethylamino)ethyl]carbamoyl}amino)phenyl 3,5-dinitrobenzoate [ACD/IUPAC Name]
4-({[2-(Diethylamino)ethyl]carbamoyl}amino)phenyl-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
Urea, N-[2-(diethylamino)ethyl]-N'-[4-[(3,5-dinitrobenzoyl)oxy]phenyl]- [ACD/Index 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: 586.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.5±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 115.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.49
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 16.31
Polar Surface Area: 162 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 328.2±3.0 cm3

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