ChemSpider 2D Image | 1-[3-(2-Methoxyethyl)-1-azepanyl]-2-methyl-2-(tetrahydro-2H-pyran-4-yl)-1-propanone | C18H33NO3

1-[3-(2-Methoxyethyl)-1-azepanyl]-2-methyl-2-(tetrahydro-2H-pyran-4-yl)-1-propanone

  • Molecular FormulaC18H33NO3
  • Average mass311.460 Da
  • Monoisotopic mass311.246033 Da
  • ChemSpider ID60526539

More details:

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

1-[3-(2-Methoxyethyl)-1-azepanyl]-2-methyl-2-(tetrahydro-2H-pyran-4-yl)-1-propanon [German] [ACD/IUPAC Name]
1-[3-(2-Methoxyethyl)-1-azepanyl]-2-methyl-2-(tetrahydro-2H-pyran-4-yl)-1-propanone [ACD/IUPAC Name]
1-[3-(2-Méthoxyéthyl)-1-azépanyl]-2-méthyl-2-(tétrahydro-2H-pyran-4-yl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[hexahydro-3-(2-methoxyethyl)-1H-azepin-1-yl]-2-methyl-2-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]
1-[3-(2-METHOXYETHYL)AZEPAN-1-YL]-2-METHYL-2-(OXAN-4-YL)PROPAN-1-ONE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 436.3±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 217.7±19.0 °C
Index of Refraction: 1.479
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.56
ACD/KOC (pH 5.5): 664.38
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.56
ACD/KOC (pH 7.4): 664.38
Polar Surface Area: 39 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 309.1±3.0 cm3

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