ChemSpider 2D Image | 2-Ethyl-2-{[4-(methylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile | C12H17N9

2-Ethyl-2-{[4-(methylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile

  • Molecular FormulaC12H17N9
  • Average mass287.324 Da
  • Monoisotopic mass287.160706 Da
  • ChemSpider ID30827717

More details:

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

2-Ethyl-2-{[4-(methylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile [ACD/IUPAC Name]
2-Éthyl-2-{[4-(méthylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile [French] [ACD/IUPAC Name]
2-Ethyl-2-{[4-(methylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butannitril [German] [ACD/IUPAC Name]
Butanenitrile, 2-ethyl-2-[[4-(methylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]- [ACD/Index Name]
1S1

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

Density: 1.4±0.1 g/cm3
Boiling Point: 551.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 287.0±30.7 °C
Index of Refraction: 1.678
Molar Refractivity: 80.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.26
ACD/KOC (pH 5.5): 81.17
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.27
ACD/KOC (pH 7.4): 81.18
Polar Surface Area: 117 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 212.1±7.0 cm3

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