ChemSpider 2D Image | 4-{2-[(4-[Bis(2-hydroxyethyl)amino]-6-{[4-(dimethylamino)phenyl]amino}-1,3,5-triazin-2-yl)amino]ethyl}benzenesulfonamide | C23H32N8O4S

4-{2-[(4-[Bis(2-hydroxyethyl)amino]-6-{[4-(dimethylamino)phenyl]amino}-1,3,5-triazin-2-yl)amino]ethyl}benzenesulfonamide

  • Molecular FormulaC23H32N8O4S
  • Average mass516.616 Da
  • Monoisotopic mass516.226746 Da
  • ChemSpider ID124682888

More details:

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

4-{2-[(4-[Bis(2-hydroxyethyl)amino]-6-{[4-(dimethylamino)phenyl]amino}-1,3,5-triazin-2-yl)amino]ethyl}benzenesulfonamide [ACD/IUPAC Name]
4-{2-[(4-[Bis(2-hydroxyéthyl)amino]-6-{[4-(diméthylamino)phényl]amino}-1,3,5-triazin-2-yl)amino]éthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
4-{2-[(4-[Bis(2-hydroxyethyl)amino]-6-{[4-(dimethylamino)phenyl]amino}-1,3,5-triazin-2-yl)amino]ethyl}benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[2-[[4-[bis(2-hydroxyethyl)amino]-6-[[4-(dimethylamino)phenyl]amino]-1,3,5-triazin-2-yl]amino]ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 811.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 444.5±37.1 °C
Index of Refraction: 1.676
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.95
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.68
ACD/KOC (pH 7.4): 49.53
Polar Surface Area: 178 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 83.9±3.0 dyne/cm
Molar Volume: 364.8±3.0 cm3

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