ChemSpider 2D Image | 2-[Butyl(4-{[4-(hexyloxy)phenyl]amino}-6-{[2-(4-morpholinyl)ethyl]amino}-1,3,5-triazin-2-yl)amino]ethanol | C27H45N7O3

2-[Butyl(4-{[4-(hexyloxy)phenyl]amino}-6-{[2-(4-morpholinyl)ethyl]amino}-1,3,5-triazin-2-yl)amino]ethanol

  • Molecular FormulaC27H45N7O3
  • Average mass515.691 Da
  • Monoisotopic mass515.358398 Da
  • ChemSpider ID124626390

More details:

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

2-[Butyl(4-{[4-(hexyloxy)phenyl]amino}-6-{[2-(4-morpholinyl)ethyl]amino}-1,3,5-triazin-2-yl)amino]ethanol [German] [ACD/IUPAC Name]
2-[Butyl(4-{[4-(hexyloxy)phenyl]amino}-6-{[2-(4-morpholinyl)ethyl]amino}-1,3,5-triazin-2-yl)amino]ethanol [ACD/IUPAC Name]
2-[Butyl(4-{[4-(hexyloxy)phényl]amino}-6-{[2-(4-morpholinyl)éthyl]amino}-1,3,5-triazin-2-yl)amino]éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[butyl[4-[[4-(hexyloxy)phenyl]amino]-6-[[2-(4-morpholinyl)ethyl]amino]-1,3,5-triazin-2-yl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 693.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 373.1±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 150.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 39.32
ACD/KOC (pH 5.5): 187.07
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 881.09
ACD/KOC (pH 7.4): 4192.14
Polar Surface Area: 108 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 443.8±3.0 cm3

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