ChemSpider 2D Image | 2-[4-(4-{[4-(Hexyloxy)phenyl]amino}-6-[(3-isopropoxypropyl)amino]-1,3,5-triazin-2-yl)-1-piperazinyl]ethanol | C27H45N7O3

2-[4-(4-{[4-(Hexyloxy)phenyl]amino}-6-[(3-isopropoxypropyl)amino]-1,3,5-triazin-2-yl)-1-piperazinyl]ethanol

  • Molecular FormulaC27H45N7O3
  • Average mass515.691 Da
  • Monoisotopic mass515.358398 Da
  • ChemSpider ID124633472

More details:

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

1-Piperazineethanol, 4-[4-[[4-(hexyloxy)phenyl]amino]-6-[[3-(1-methylethoxy)propyl]amino]-1,3,5-triazin-2-yl]- [ACD/Index Name]
2-[4-(4-{[4-(Hexyloxy)phenyl]amino}-6-[(3-isopropoxypropyl)amino]-1,3,5-triazin-2-yl)-1-piperazinyl]ethanol [German] [ACD/IUPAC Name]
2-[4-(4-{[4-(Hexyloxy)phenyl]amino}-6-[(3-isopropoxypropyl)amino]-1,3,5-triazin-2-yl)-1-piperazinyl]ethanol [ACD/IUPAC Name]
2-[4-(4-{[4-(Hexyloxy)phényl]amino}-6-[(3-isopropoxypropyl)amino]-1,3,5-triazin-2-yl)-1-pipérazinyl]éthanol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 685.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 368.1±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 148.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 5.61
ACD/KOC (pH 5.5): 30.74
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 397.28
ACD/KOC (pH 7.4): 2176.44
Polar Surface Area: 108 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 448.8±3.0 cm3

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