Found 655 results

Search term: MF = 'C_{8}H_{16}N_{2}O_{5}S'
ChemSpider 2D Image | 2-Methyl-N-(methylsulfonyl)alanyl-beta-alanine | C8H16N2O5S

2-Methyl-N-(methylsulfonyl)alanyl-β-alanine

  • Molecular FormulaC8H16N2O5S
  • Average mass252.288 Da
  • Monoisotopic mass252.077988 Da
  • ChemSpider ID53647182

More details:

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

2-Methyl-N-(methylsulfonyl)alanyl-β-alanin [German] [ACD/IUPAC Name]
2-Methyl-N-(methylsulfonyl)alanyl-β-alanine [ACD/IUPAC Name]
2-Méthyl-N-(méthylsulfonyl)alanyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, 2-methyl-N-(methylsulfonyl)alanyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.508
Molar Refractivity: 57.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.58
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 191.0±3.0 cm3

Click to predict properties on the Chemicalize site


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