ChemSpider 2D Image | N-Methyl-N-{[6-(methylsulfonyl)-3-pyridinyl]sulfonyl}-beta-alanine | C10H14N2O6S2

N-Methyl-N-{[6-(methylsulfonyl)-3-pyridinyl]sulfonyl}-β-alanine

  • Molecular FormulaC10H14N2O6S2
  • Average mass322.358 Da
  • Monoisotopic mass322.029327 Da
  • ChemSpider ID54806373

More details:

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

N-Methyl-N-{[6-(methylsulfonyl)-3-pyridinyl]sulfonyl}-β-alanin [German] [ACD/IUPAC Name]
N-Methyl-N-{[6-(methylsulfonyl)-3-pyridinyl]sulfonyl}-β-alanine [ACD/IUPAC Name]
N-Méthyl-N-{[6-(méthylsulfonyl)-3-pyridinyl]sulfonyl}-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-methyl-N-[[6-(methylsulfonyl)-3-pyridinyl]sulfonyl]- [ACD/Index Name]
2036325-28-5 [RN]
3-(N-methyl6-methanesulfonylpyridine-3-sulfonamido)propanoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 597.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.3±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 70.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): -2.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 217.6±3.0 cm3

Click to predict properties on the Chemicalize site


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