ChemSpider 2D Image | 1-(2-Fluoro-4,5-dimethoxybenzyl)-6,6-dimethyl-4-azepanol | C17H26FNO3

1-(2-Fluoro-4,5-dimethoxybenzyl)-6,6-dimethyl-4-azepanol

  • Molecular FormulaC17H26FNO3
  • Average mass311.392 Da
  • Monoisotopic mass311.189667 Da
  • ChemSpider ID62742266

More details:






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

1-(2-Fluor-4,5-dimethoxybenzyl)-6,6-dimethyl-4-azepanol [German] [ACD/IUPAC Name]
1-(2-Fluoro-4,5-dimethoxybenzyl)-6,6-dimethyl-4-azepanol [ACD/IUPAC Name]
1-(2-Fluoro-4,5-diméthoxybenzyl)-6,6-diméthyl-4-azépanol [French] [ACD/IUPAC Name]
1H-Azepin-4-ol, 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]hexahydro-6,6-dimethyl- [ACD/Index Name]
1-(2-fluoro-4,5-dimethoxybenzyl)-6,6-dimethylazepan-4-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 399.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 195.1±27.9 °C
Index of Refraction: 1.514
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.86
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 11.24
ACD/KOC (pH 7.4): 139.67
Polar Surface Area: 42 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 281.2±3.0 cm3

Click to predict properties on the Chemicalize site






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