ChemSpider 2D Image | 4-[1-(4-Amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methyl-3-butyn-2-ol | C17H19N7O

4-[1-(4-Amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methyl-3-butyn-2-ol

  • Molecular FormulaC17H19N7O
  • Average mass337.379 Da
  • Monoisotopic mass337.165100 Da
  • ChemSpider ID31133431

More details:

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

3-Butyn-2-ol, 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methyl- [ACD/Index Name]
4-[1-(4-Amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methyl-3-butin-2-ol [German] [ACD/IUPAC Name]
4-[1-(4-Amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methyl-3-butyn-2-ol [ACD/IUPAC Name]
4-[1-(4-Amino-1,3,5-triazin-2-yl)-2-(éthylamino)-1H-benzimidazol-6-yl]-2-méthyl-3-butyn-2-ol [French] [ACD/IUPAC Name]
4-[1-(4-Amino-1,3,5-Triazin-2-Yl)-2-(Ethylamino)-1h-Benzimidazol-6-Yl]-2-Methylbut-3-Yn-2-Ol
2OO

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

Density: 1.3±0.1 g/cm3
Boiling Point: 636.1±61.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 338.5±33.2 °C
Index of Refraction: 1.680
Molar Refractivity: 95.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.00
ACD/KOC (pH 5.5): 179.82
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.22
ACD/KOC (pH 7.4): 183.75
Polar Surface Area: 115 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 251.9±7.0 cm3

Click to predict properties on the Chemicalize site


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