ChemSpider 2D Image | 1-{[1-(4-Amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol | C19H20N6O

1-{[1-(4-Amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol

  • Molecular FormulaC19H20N6O
  • Average mass348.402 Da
  • Monoisotopic mass348.169861 Da
  • ChemSpider ID31133426

More details:

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

1-{[1-(4-Amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethinyl}cyclohexanol [German] [ACD/IUPAC Name]
1-{[1-(4-Amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol [ACD/IUPAC Name]
1-{[1-(4-Amino-1,3,5-triazin-2-yl)-2-méthyl-1H-benzimidazol-6-yl]éthynyl}cyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 1-[2-[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl]- [ACD/Index Name]
2OQ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 674.3±61.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 361.6±33.2 °C
Index of Refraction: 1.715
Molar Refractivity: 99.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.63
ACD/KOC (pH 5.5): 270.97
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.73
ACD/KOC (pH 7.4): 272.58
Polar Surface Area: 103 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 252.5±7.0 cm3

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