ChemSpider 2D Image | 1-[3-(Isobutylsulfonyl)-1-azetidinyl]-1-butanone | C11H21NO3S

1-[3-(Isobutylsulfonyl)-1-azetidinyl]-1-butanone

  • Molecular FormulaC11H21NO3S
  • Average mass247.354 Da
  • Monoisotopic mass247.124207 Da
  • ChemSpider ID30764150

More details:






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

1-[3-(Isobutylsulfonyl)-1-azetidinyl]-1-butanon [German] [ACD/IUPAC Name]
1-[3-(Isobutylsulfonyl)-1-azetidinyl]-1-butanone [ACD/IUPAC Name]
1-[3-(Isobutylsulfonyl)-1-azétidinyl]-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[3-[(2-methylpropyl)sulfonyl]-1-azetidinyl]- [ACD/Index Name]
1-(3-(isobutylsulfonyl)azetidin-1-yl)butan-1-one
1-[3-(2-methylpropanesulfonyl)azetidin-1-yl]butan-1-one
1797692-69-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 443.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 222.2±25.7 °C
Index of Refraction: 1.501
Molar Refractivity: 63.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.83
ACD/KOC (pH 5.5): 73.30
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.83
ACD/KOC (pH 7.4): 73.30
Polar Surface Area: 63 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 216.3±5.0 cm3

Click to predict properties on the Chemicalize site






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