ChemSpider 2D Image | 3-[Hexadecyl(4-sulfophenyl)amino]butanoic acid | C26H45NO5S

3-[Hexadecyl(4-sulfophenyl)amino]butanoic acid

  • Molecular FormulaC26H45NO5S
  • Average mass483.704 Da
  • Monoisotopic mass483.301849 Da
  • ChemSpider ID103508690

More details:

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

3-[Hexadecyl(4-sulfophenyl)amino]butanoic acid [ACD/IUPAC Name]
3-[Hexadecyl(4-sulfophenyl)amino]butansäure [German] [ACD/IUPAC Name]
Acide 3-[hexadécyl(4-sulfophényl)amino]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-[hexadecyl(4-sulfophenyl)amino]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.523
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 8.72
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 10.06
ACD/KOC (pH 5.5): 9.45
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 5.93
ACD/KOC (pH 7.4): 5.57
Polar Surface Area: 103 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 442.3±3.0 cm3

Click to predict properties on the Chemicalize site


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