ChemSpider 2D Image | 2-[4-(2-{[4-(4-Methyl-1-piperazinyl)phenyl]amino}-5-nitro-4-pyrimidinyl)-1-piperazinyl]ethanol | C21H30N8O3

2-[4-(2-{[4-(4-Methyl-1-piperazinyl)phenyl]amino}-5-nitro-4-pyrimidinyl)-1-piperazinyl]ethanol

  • Molecular FormulaC21H30N8O3
  • Average mass442.515 Da
  • Monoisotopic mass442.244080 Da
  • ChemSpider ID124325756

More details:

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

1-Piperazineethanol, 4-[2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-5-nitro-4-pyrimidinyl]- [ACD/Index Name]
2-[4-(2-{[4-(4-Methyl-1-piperazinyl)phenyl]amino}-5-nitro-4-pyrimidinyl)-1-piperazinyl]ethanol [German] [ACD/IUPAC Name]
2-[4-(2-{[4-(4-Methyl-1-piperazinyl)phenyl]amino}-5-nitro-4-pyrimidinyl)-1-piperazinyl]ethanol [ACD/IUPAC Name]
2-[4-(2-{[4-(4-Méthyl-1-pipérazinyl)phényl]amino}-5-nitro-4-pyrimidinyl)-1-pipérazinyl]éthanol [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: 683.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.1±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 121.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -2.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.09
ACD/KOC (pH 7.4): 40.51
Polar Surface Area: 117 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 65.5±3.0 dyne/cm
Molar Volume: 335.5±3.0 cm3

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