ChemSpider 2D Image | Methyl N-[4-(1,3-dithian-2-yl)benzoyl]-N-(2-methylphenyl)-beta-alaninate | C22H25NO3S2

Methyl N-[4-(1,3-dithian-2-yl)benzoyl]-N-(2-methylphenyl)-β-alaninate

  • Molecular FormulaC22H25NO3S2
  • Average mass415.569 Da
  • Monoisotopic mass415.127594 Da
  • ChemSpider ID30432642

More details:

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

Methyl N-[4-(1,3-dithian-2-yl)benzoyl]-N-(2-methylphenyl)-β-alaninate [ACD/IUPAC Name]
Methyl-N-[4-(1,3-dithian-2-yl)benzoyl]-N-(2-methylphenyl)-β-alaninat [German] [ACD/IUPAC Name]
N-[4-(1,3-Dithian-2-yl)benzoyl]-N-(2-méthylphényl)-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[4-(1,3-dithian-2-yl)benzoyl]-N-(2-methylphenyl)-, methyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 594.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.2±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 119.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2508.27
ACD/KOC (pH 5.5): 9437.74
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2508.27
ACD/KOC (pH 7.4): 9437.74
Polar Surface Area: 97 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 336.3±3.0 cm3

Click to predict properties on the Chemicalize site


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