ChemSpider 2D Image | 4-[(4-Chlorobutyl)(4-ethoxy-4-oxobutyl)amino]-2-methylbenzenesulfonic acid | C17H26ClNO5S

4-[(4-Chlorobutyl)(4-ethoxy-4-oxobutyl)amino]-2-methylbenzenesulfonic acid

  • Molecular FormulaC17H26ClNO5S
  • Average mass391.910 Da
  • Monoisotopic mass391.122009 Da
  • ChemSpider ID102617068

More details:

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

4-[(4-Chlorbutyl)(4-ethoxy-4-oxobutyl)amino]-2-methylbenzolsulfonsäure [German] [ACD/IUPAC Name]
4-[(4-Chlorobutyl)(4-ethoxy-4-oxobutyl)amino]-2-methylbenzenesulfonic acid [ACD/IUPAC Name]
Acide 4-[(4-chlorobutyl)(4-éthoxy-4-oxobutyl)amino]-2-méthylbenzènesulfonique [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(4-chlorobutyl)(3-methyl-4-sulfophenyl)amino]-, 1-ethyl ester [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: 1.542
Molar Refractivity: 98.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 313.4±3.0 cm3

Click to predict properties on the Chemicalize site


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