ChemSpider 2D Image | 2-Chloro-3-((1-(methylsulfonyl)piperidin-3-yl)methyl)pyrazine | C11H16ClN3O2S

2-Chloro-3-((1-(methylsulfonyl)piperidin-3-yl)methyl)pyrazine

  • Molecular FormulaC11H16ClN3O2S
  • Average mass289.782 Da
  • Monoisotopic mass289.065186 Da
  • ChemSpider ID29313346

More details:

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

1316225-96-3 [RN]
2-Chlor-3-{[1-(methylsulfonyl)-3-piperidinyl]methyl}pyrazin [German] [ACD/IUPAC Name]
2-Chloro-3-((1-(methylsulfonyl)piperidin-3-yl)methyl)pyrazine
2-Chloro-3-{[1-(methylsulfonyl)-3-piperidinyl]methyl}pyrazine [ACD/IUPAC Name]
2-Chloro-3-{[1-(méthylsulfonyl)-3-pipéridinyl]méthyl}pyrazine [French] [ACD/IUPAC Name]
Pyrazine, 2-chloro-3-[[1-(methylsulfonyl)-3-piperidinyl]methyl]- [ACD/Index Name]
2-Chloro-3-(1-methanesulfonyl-piperidin-3-ylmethyl)-pyrazine
2-CHLORO-3-[(1-METHANESULFONYLPIPERIDIN-3-YL)METHYL]PYRAZINE
2-chloro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine
MFCD19691552 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 421.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.5±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 70.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.70
ACD/KOC (pH 5.5): 150.03
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.70
ACD/KOC (pH 7.4): 150.03
Polar Surface Area: 72 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 209.9±5.0 cm3

Click to predict properties on the Chemicalize site


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