ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{3-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]propyl}-1-piperazinecarboxylate | C16H28N6O4

2-Methyl-2-propanyl 4-{3-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]propyl}-1-piperazinecarboxylate

  • Molecular FormulaC16H28N6O4
  • Average mass368.431 Da
  • Monoisotopic mass368.217194 Da
  • ChemSpider ID30728113

More details:

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

1-Piperazinecarboxylic acid, 4-[3-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{3-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]propyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{3-[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]propyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{3-[(1-Méthyl-4-nitro-1H-imidazol-5-yl)amino]propyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [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: 575.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 302.0±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.16
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 15.42
ACD/KOC (pH 7.4): 232.67
Polar Surface Area: 108 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 285.9±7.0 cm3

Click to predict properties on the Chemicalize site


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