ChemSpider 2D Image | Ethyl 4-{[3-nitro-4-(3-nitrophenoxy)benzoyl]amino}-1-piperidinecarboxylate | C21H22N4O8

Ethyl 4-{[3-nitro-4-(3-nitrophenoxy)benzoyl]amino}-1-piperidinecarboxylate

  • Molecular FormulaC21H22N4O8
  • Average mass458.421 Da
  • Monoisotopic mass458.143768 Da
  • ChemSpider ID22474911

More details:

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

1-Piperidinecarboxylic acid, 4-[[3-nitro-4-(3-nitrophenoxy)benzoyl]amino]-, ethyl ester [ACD/Index Name]
4-{[3-Nitro-4-(3-nitrophénoxy)benzoyl]amino}-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[3-nitro-4-(3-nitrophenoxy)benzoyl]amino}-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[3-nitro-4-(3-nitrophenoxy)benzoyl]amino}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
ethyl 4-{[3-nitro-4-(3-nitrophenoxy)benzoyl]amino}piperidine-1-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 608.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 322.0±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 114.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.63
ACD/KOC (pH 5.5): 813.01
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.63
ACD/KOC (pH 7.4): 813.01
Polar Surface Area: 160 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 320.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement