ChemSpider 2D Image | 2,2'-[(4-{[2-(1H-Imidazol-4-yl)ethyl]amino}-6-[(4-propoxyphenyl)amino]-1,3,5-triazin-2-yl)imino]diethanol | C21H30N8O3

2,2'-[(4-{[2-(1H-Imidazol-4-yl)ethyl]amino}-6-[(4-propoxyphenyl)amino]-1,3,5-triazin-2-yl)imino]diethanol

  • Molecular FormulaC21H30N8O3
  • Average mass442.515 Da
  • Monoisotopic mass442.244080 Da
  • ChemSpider ID124685502

More details:

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

2,2'-[(4-{[2-(1H-Imidazol-4-yl)ethyl]amino}-6-[(4-propoxyphenyl)amino]-1,3,5-triazin-2-yl)imino]diethanol [German] [ACD/IUPAC Name]
2,2'-[(4-{[2-(1H-Imidazol-4-yl)ethyl]amino}-6-[(4-propoxyphenyl)amino]-1,3,5-triazin-2-yl)imino]diethanol [ACD/IUPAC Name]
2,2'-[(4-{[2-(1H-Imidazol-4-yl)éthyl]amino}-6-[(4-propoxyphényl)amino]-1,3,5-triazin-2-yl)imino]diéthanol [French] [ACD/IUPAC Name]
Ethanol, 2,2'-[[4-[[2-(1H-imidazol-4-yl)ethyl]amino]-6-[(4-propoxyphenyl)amino]-1,3,5-triazin-2-yl]imino]bis- [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: 773.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 421.9±35.7 °C
Index of Refraction: 1.683
Molar Refractivity: 123.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.37
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 45.20
Polar Surface Area: 144 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 74.5±3.0 dyne/cm
Molar Volume: 326.4±3.0 cm3

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