ChemSpider 2D Image | 3,3-Dimethyl-1-[3-(methylsulfonyl)-1-pyrrolidinyl]-1-butanone | C11H21NO3S

3,3-Dimethyl-1-[3-(methylsulfonyl)-1-pyrrolidinyl]-1-butanone

  • Molecular FormulaC11H21NO3S
  • Average mass247.354 Da
  • Monoisotopic mass247.124207 Da
  • ChemSpider ID30758816

More details:

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

1-Butanone, 3,3-dimethyl-1-[3-(methylsulfonyl)-1-pyrrolidinyl]- [ACD/Index Name]
3,3-Dimethyl-1-[3-(methylsulfonyl)-1-pyrrolidinyl]-1-butanon [German] [ACD/IUPAC Name]
3,3-Dimethyl-1-[3-(methylsulfonyl)-1-pyrrolidinyl]-1-butanone [ACD/IUPAC Name]
3,3-Diméthyl-1-[3-(méthylsulfonyl)-1-pyrrolidinyl]-1-butanone [French] [ACD/IUPAC Name]
1-(3-methanesulfonylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
1448037-33-9 [RN]
3,3-dimethyl-1-(3-(methylsulfonyl)pyrrolidin-1-yl)butan-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: 439.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.4±25.7 °C
Index of Refraction: 1.502
Molar Refractivity: 63.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.01
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.68
ACD/KOC (pH 5.5): 70.41
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.68
ACD/KOC (pH 7.4): 70.41
Polar Surface Area: 63 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 216.1±5.0 cm3

Click to predict properties on the Chemicalize site


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