ChemSpider 2D Image | 5-[(4,6-Bis{[3-(dimethylamino)propyl]amino}-1,3,5-triazin-2-yl)amino]-2-methyl-1H-isoindole-1,3(2H)-dione | C22H33N9O2

5-[(4,6-Bis{[3-(dimethylamino)propyl]amino}-1,3,5-triazin-2-yl)amino]-2-methyl-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC22H33N9O2
  • Average mass455.556 Da
  • Monoisotopic mass455.275726 Da
  • ChemSpider ID124503175

More details:

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

1H-Isoindole-1,3(2H)-dione, 5-[[4,6-bis[[3-(dimethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]-2-methyl- [ACD/Index Name]
5-[(4,6-Bis{[3-(dimethylamino)propyl]amino}-1,3,5-triazin-2-yl)amino]-2-methyl-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
5-[(4,6-Bis{[3-(dimethylamino)propyl]amino}-1,3,5-triazin-2-yl)amino]-2-methyl-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
5-[(4,6-Bis{[3-(diméthylamino)propyl]amino}-1,3,5-triazin-2-yl)amino]-2-méthyl-1H-isoindole-1,3(2H)-dione [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: 640.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.3±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -2.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 69.8±3.0 dyne/cm
Molar Volume: 353.8±3.0 cm3

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