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Search term: QYZVYGYPVAVJIG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2,2'-{[3-(4H-1,2,4-Triazol-4-yl)propyl]imino}diethanol | C9H18N4O2

2,2'-{[3-(4H-1,2,4-Triazol-4-yl)propyl]imino}diethanol

  • Molecular FormulaC9H18N4O2
  • Average mass214.265 Da
  • Monoisotopic mass214.142975 Da
  • ChemSpider ID29626941

More details:

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

2,2'-{[3-(4H-1,2,4-Triazol-4-yl)propyl]imino}diethanol [German] [ACD/IUPAC Name]
2,2'-{[3-(4H-1,2,4-Triazol-4-yl)propyl]imino}diethanol [ACD/IUPAC Name]
2,2'-{[3-(4H-1,2,4-Triazol-4-yl)propyl]imino}diéthanol [French] [ACD/IUPAC Name]
Ethanol, 2,2'-[[3-(4H-1,2,4-triazol-4-yl)propyl]imino]bis- [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: 435.3±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 217.0±30.9 °C
Index of Refraction: 1.569
Molar Refractivity: 57.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -3.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.68
Polar Surface Area: 74 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 174.6±7.0 cm3

Click to predict properties on the Chemicalize site


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