ChemSpider 2D Image | 5-[(4-{[2-(Diethylamino)ethyl]amino}-6-[(2-hydroxyethyl)(methyl)amino]-1,3,5-triazin-2-yl)amino]-2-methyl-1H-isoindole-1,3(2H)-dione | C21H30N8O3

5-[(4-{[2-(Diethylamino)ethyl]amino}-6-[(2-hydroxyethyl)(methyl)amino]-1,3,5-triazin-2-yl)amino]-2-methyl-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC21H30N8O3
  • Average mass442.515 Da
  • Monoisotopic mass442.244080 Da
  • ChemSpider ID124661639

More details:

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

1H-Isoindole-1,3(2H)-dione, 5-[[4-[[2-(diethylamino)ethyl]amino]-6-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]-2-methyl- [ACD/Index Name]
5-[(4-{[2-(Diethylamino)ethyl]amino}-6-[(2-hydroxyethyl)(methyl)amino]-1,3,5-triazin-2-yl)amino]-2-methyl-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
5-[(4-{[2-(Diethylamino)ethyl]amino}-6-[(2-hydroxyethyl)(methyl)amino]-1,3,5-triazin-2-yl)amino]-2-methyl-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
5-[(4-{[2-(Diéthylamino)éthyl]amino}-6-[(2-hydroxyéthyl)(méthyl)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: 654.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.3±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 123.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.08
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 75.4±3.0 dyne/cm
Molar Volume: 329.5±3.0 cm3

Click to predict properties on the Chemicalize site


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