ChemSpider 2D Image | 1-(Methylsulfonyl)prolyl-N-methyl-beta-alanine | C10H18N2O5S

1-(Methylsulfonyl)prolyl-N-methyl-β-alanine

  • Molecular FormulaC10H18N2O5S
  • Average mass278.325 Da
  • Monoisotopic mass278.093628 Da
  • ChemSpider ID38711434

More details:

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

1-(Methylsulfonyl)prolyl-N-methyl-β-alanin [German] [ACD/IUPAC Name]
1-(Methylsulfonyl)prolyl-N-methyl-β-alanine [ACD/IUPAC Name]
1-(Méthylsulfonyl)prolyl-N-méthyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, 1-(methylsulfonyl)prolyl-N-methyl- [ACD/Index Name]
3-[1-(1-METHANESULFONYLPYRROLIDIN-2-YL)-N-METHYLFORMAMIDO]PROPANOIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 507.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.1±6.0 kJ/mol
Flash Point: 260.6±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 64.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.32
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 200.3±5.0 cm3

Click to predict properties on the Chemicalize site


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