ChemSpider 2D Image | Methyl 3-[(4-chlorobutyl)(mesitylsulfonyl)amino]-2-hydroxypropanoate | C17H26ClNO5S

Methyl 3-[(4-chlorobutyl)(mesitylsulfonyl)amino]-2-hydroxypropanoate

  • Molecular FormulaC17H26ClNO5S
  • Average mass391.910 Da
  • Monoisotopic mass391.122009 Da
  • ChemSpider ID102869941

More details:

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

3-[(4-Chlorobutyl)(mésitylsulfonyl)amino]-2-hydroxypropanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[(4-chlorobutyl)(mesitylsulfonyl)amino]-2-hydroxypropanoate [ACD/IUPAC Name]
Methyl-3-[(4-chlorbutyl)(mesitylsulfonyl)amino]-2-hydroxypropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[(4-chlorobutyl)[(2,4,6-trimethylphenyl)sulfonyl]amino]-2-hydroxy-, 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: 548.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 285.8±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 98.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 729.05
ACD/KOC (pH 5.5): 3897.28
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 729.03
ACD/KOC (pH 7.4): 3897.20
Polar Surface Area: 92 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 315.6±3.0 cm3

Click to predict properties on the Chemicalize site


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