ChemSpider 2D Image | Ethyl 4-{4-methoxy-1-[(2-nitrophenyl)amino]-1,4-dioxo-2-butanyl}-1-piperazinecarboxylate | C18H24N4O7

Ethyl 4-{4-methoxy-1-[(2-nitrophenyl)amino]-1,4-dioxo-2-butanyl}-1-piperazinecarboxylate

  • Molecular FormulaC18H24N4O7
  • Average mass408.406 Da
  • Monoisotopic mass408.164490 Da
  • ChemSpider ID21594553

More details:

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

1-Piperazinepropanoic acid, 4-(ethoxycarbonyl)-β-[[(2-nitrophenyl)amino]carbonyl]-, methyl ester [ACD/Index Name]
4-{4-Méthoxy-1-[(2-nitrophényl)amino]-1,4-dioxo-2-butanyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-methoxy-1-[(2-nitrophenyl)amino]-1,4-dioxo-2-butanyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{4-methoxy-1-[(2-nitrophenyl)amino]-1,4-dioxo-2-butanyl}-1-piperazincarboxylat [German] [ACD/IUPAC 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: 618.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 327.7±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.25
ACD/KOC (pH 5.5): 349.79
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.57
ACD/KOC (pH 7.4): 354.19
Polar Surface Area: 134 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 304.1±3.0 cm3

Click to predict properties on the Chemicalize site


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