ChemSpider 2D Image | 1-(Methylsulfonyl)-2-pyrrolidinecarbonitrile | C6H10N2O2S

1-(Methylsulfonyl)-2-pyrrolidinecarbonitrile

  • Molecular FormulaC6H10N2O2S
  • Average mass174.221 Da
  • Monoisotopic mass174.046295 Da
  • ChemSpider ID22241179

More details:






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

1-(Methylsulfonyl)-2-pyrrolidincarbonitril [German] [ACD/IUPAC Name]
1-(Methylsulfonyl)-2-pyrrolidinecarbonitrile [ACD/IUPAC Name]
1-(Méthylsulfonyl)-2-pyrrolidinecarbonitrile [French] [ACD/IUPAC Name]
2-Pyrrolidinecarbonitrile, 1-(methylsulfonyl)- [ACD/Index Name]
1-(methylsulfonyl)pyrrolidine-2-carbonitrile
1049606-01-0 [RN]
1-methanesulfonylpyrrolidine-2-carbonitrile
MFCD10686736 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 346.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 163.3±30.7 °C
Index of Refraction: 1.532
Molar Refractivity: 40.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.74
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.74
Polar Surface Area: 70 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 130.4±5.0 cm3

Click to predict properties on the Chemicalize site






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