ChemSpider 2D Image | Butyl 4-[(E)-(2,4-dinitrophenoxy)-NNO-azoxy]-1-piperazinecarboxylate | C15H20N6O8

Butyl 4-[(E)-(2,4-dinitrophenoxy)-NNO-azoxy]-1-piperazinecarboxylate

  • Molecular FormulaC15H20N6O8
  • Average mass412.355 Da
  • Monoisotopic mass412.134247 Da
  • ChemSpider ID23272936

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazinecarboxylic acid, 4-[(E)-(2,4-dinitrophenoxy)-NNO-azoxy]-, butyl ester [ACD/Index Name]
4-[(E)-(2,4-Dinitrophénoxy)-NNO-azoxy]-1-pipérazinecarboxylate de butyle [French] [ACD/IUPAC Name]
Butyl 4-[(E)-(2,4-dinitrophenoxy)-NNO-azoxy]-1-piperazinecarboxylate [ACD/IUPAC Name]
butyl 4-[(E)-(2,4-dinitrophenoxy)-NNO-azoxy]piperazine-1-carboxylate
Butyl-4-[(E)-(2,4-dinitrophenoxy)-NNO-azoxy]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL379147/
O2-(2,4-dinitrophenyl) 1-[4-(n-butoxycarbonyl)piperazin-yl]-diazen-1-ium-1,2-diolate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 562.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 293.9±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 97.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.35
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 175 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 67.9±7.0 dyne/cm
Molar Volume: 271.4±7.0 cm3

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