ChemSpider 2D Image | 4-Nitro-2,6-piperazinedione | C4H5N3O4

4-Nitro-2,6-piperazinedione

  • Molecular FormulaC4H5N3O4
  • Average mass159.100 Da
  • Monoisotopic mass159.028000 Da
  • ChemSpider ID28291581

More details:

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

2,6-Piperazinedione, 4-nitro- [ACD/Index Name]
4-Nitro-2,6-piperazindion [German] [ACD/IUPAC Name]
4-Nitro-2,6-piperazinedione [ACD/IUPAC Name]
4-Nitro-2,6-pipérazinedione [French] [ACD/IUPAC Name]
4-nitropiperazine-2,6-dione
860765-20-4 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 551.9±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.5±27.1 °C
Index of Refraction: 1.577
Molar Refractivity: 32.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.52
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.22
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.12
Polar Surface Area: 95 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 97.6±5.0 cm3

Click to predict properties on the Chemicalize site


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