ChemSpider 2D Image | 1-[4-(2-Methyl-2-propanyl)-1-azepanyl]-3-(methylsulfonyl)-1-propanone | C14H27NO3S

1-[4-(2-Methyl-2-propanyl)-1-azepanyl]-3-(methylsulfonyl)-1-propanone

  • Molecular FormulaC14H27NO3S
  • Average mass289.434 Da
  • Monoisotopic mass289.171173 Da
  • ChemSpider ID30477406

More details:

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

1-[4-(2-Methyl-2-propanyl)-1-azepanyl]-3-(methylsulfonyl)-1-propanon [German] [ACD/IUPAC Name]
1-[4-(2-Methyl-2-propanyl)-1-azepanyl]-3-(methylsulfonyl)-1-propanone [ACD/IUPAC Name]
1-[4-(2-Méthyl-2-propanyl)-1-azépanyl]-3-(méthylsulfonyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-(1,1-dimethylethyl)hexahydro-1H-azepin-1-yl]-3-(methylsulfonyl)- [ACD/Index Name]
1-(4-TERT-BUTYLAZEPAN-1-YL)-3-METHANESULFONYLPROPAN-1-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 471.0±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 238.6±24.0 °C
Index of Refraction: 1.494
Molar Refractivity: 77.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.62
ACD/KOC (pH 5.5): 393.51
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.62
ACD/KOC (pH 7.4): 393.51
Polar Surface Area: 63 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 266.8±3.0 cm3

Click to predict properties on the Chemicalize site


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