ChemSpider 2D Image | N-(2-Methyl-3-nitrophenyl)-5-nitro-4-[4-(4-nitrophenyl)-1-piperazinyl]-2-pyrimidinamine | C21H20N8O6

N-(2-Methyl-3-nitrophenyl)-5-nitro-4-[4-(4-nitrophenyl)-1-piperazinyl]-2-pyrimidinamine

  • Molecular FormulaC21H20N8O6
  • Average mass480.434 Da
  • Monoisotopic mass480.150574 Da
  • ChemSpider ID124375237

More details:

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

2-Pyrimidinamine, N-(2-methyl-3-nitrophenyl)-5-nitro-4-[4-(4-nitrophenyl)-1-piperazinyl]- [ACD/Index Name]
N-(2-Methyl-3-nitrophenyl)-5-nitro-4-[4-(4-nitrophenyl)-1-piperazinyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-(2-Methyl-3-nitrophenyl)-5-nitro-4-[4-(4-nitrophenyl)-1-piperazinyl]-2-pyrimidinamine [ACD/IUPAC Name]
N-(2-Méthyl-3-nitrophényl)-5-nitro-4-[4-(4-nitrophényl)-1-pipérazinyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 735.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.3±35.7 °C
Index of Refraction: 1.702
Molar Refractivity: 124.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 895.41
ACD/KOC (pH 5.5): 4507.57
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 900.53
ACD/KOC (pH 7.4): 4533.38
Polar Surface Area: 182 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 80.4±3.0 dyne/cm
Molar Volume: 321.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement