ChemSpider 2D Image | 1-[3-(Isobutylsulfonyl)-1-azetidinyl]-2,2-dimethyl-1-propanone | C12H23NO3S

1-[3-(Isobutylsulfonyl)-1-azetidinyl]-2,2-dimethyl-1-propanone

  • Molecular FormulaC12H23NO3S
  • Average mass261.381 Da
  • Monoisotopic mass261.139862 Da
  • ChemSpider ID30764057

More details:

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

1-[3-(Isobutylsulfonyl)-1-azetidinyl]-2,2-dimethyl-1-propanon [German] [ACD/IUPAC Name]
1-[3-(Isobutylsulfonyl)-1-azetidinyl]-2,2-dimethyl-1-propanone [ACD/IUPAC Name]
1-[3-(Isobutylsulfonyl)-1-azétidinyl]-2,2-diméthyl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 2,2-dimethyl-1-[3-[(2-methylpropyl)sulfonyl]-1-azetidinyl]- [ACD/Index Name]
1-(3-(isobutylsulfonyl)azetidin-1-yl)-2,2-dimethylpropan-1-one
1797086-32-8 [RN]
2,2-dimethyl-1-[3-(2-methylpropanesulfonyl)azetidin-1-yl]propan-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: 438.5±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 219.0±25.7 °C
Index of Refraction: 1.498
Molar Refractivity: 68.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.44
ACD/KOC (pH 5.5): 132.06
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.44
ACD/KOC (pH 7.4): 132.06
Polar Surface Area: 63 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 39.6±5.0 dyne/cm
Molar Volume: 233.0±5.0 cm3

Click to predict properties on the Chemicalize site


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