ChemSpider 2D Image | tert-butyl 4-[(E)-(2,4-dinitrophenoxy)-NNO-azoxy]piperazine-1-carboxylate | C15H20N6O8

tert-butyl 4-[(E)-(2,4-dinitrophenoxy)-NNO-azoxy]piperazine-1-carboxylate

  • Molecular FormulaC15H20N6O8
  • Average mass412.355 Da
  • Monoisotopic mass412.134247 Da
  • ChemSpider ID23273081

  • 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]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(E)-(2,4-dinitrophenoxy)-NNO-azoxy]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(E)-(2,4-dinitrophenoxy)-NNO-azoxy]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[(E)-(2,4-Dinitrophénoxy)-NNO-azoxy]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-[(E)-(2,4-dinitrophenoxy)-NNO-azoxy]piperazine-1-carboxylate
O2-(2,4-dinitrophenyl) 1-[4-(tert-butoxycarbonyl)piperazin-1-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: 549.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.2±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 97.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.99
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: 38.6±0.5 10-24cm3
Surface Tension: 64.3±7.0 dyne/cm
Molar Volume: 275.0±7.0 cm3

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