ChemSpider 2D Image | Ethyl N-[(5-chloro-2-methoxyphenyl)sulfonyl]-N-(3-methylbutyl)-beta-alaninate | C17H26ClNO5S

Ethyl N-[(5-chloro-2-methoxyphenyl)sulfonyl]-N-(3-methylbutyl)-β-alaninate

  • Molecular FormulaC17H26ClNO5S
  • Average mass391.910 Da
  • Monoisotopic mass391.122009 Da
  • ChemSpider ID59152327

More details:

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

Ethyl N-[(5-chloro-2-methoxyphenyl)sulfonyl]-N-(3-methylbutyl)-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[(5-chlor-2-methoxyphenyl)sulfonyl]-N-(3-methylbutyl)-β-alaninat [German] [ACD/IUPAC Name]
N-[(5-Chloro-2-méthoxyphényl)sulfonyl]-N-(3-méthylbutyl)-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[(5-chloro-2-methoxyphenyl)sulfonyl]-N-(3-methylbutyl)-, ethyl 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: 500.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.2±32.9 °C
Index of Refraction: 1.516
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1385.67
ACD/KOC (pH 5.5): 6171.60
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1385.67
ACD/KOC (pH 7.4): 6171.60
Polar Surface Area: 81 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 326.8±3.0 cm3

Click to predict properties on the Chemicalize site


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