Found 49 results

Search term: MF = 'C_{23}H_{39}NO_{5}S'
ChemSpider 2D Image | 2-[(3-Methyl-4-sulfophenyl)(octyl)amino]octanoic acid | C23H39NO5S

2-[(3-Methyl-4-sulfophenyl)(octyl)amino]octanoic acid

  • Molecular FormulaC23H39NO5S
  • Average mass441.625 Da
  • Monoisotopic mass441.254883 Da
  • ChemSpider ID102618119

More details:

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

2-[(3-Methyl-4-sulfophenyl)(octyl)amino]octanoic acid [ACD/IUPAC Name]
2-[(3-Methyl-4-sulfophenyl)(octyl)amino]octansäure [German] [ACD/IUPAC Name]
Acide 2-[(3-méthyl-4-sulfophényl)(octyl)amino]octanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 2-[(3-methyl-4-sulfophenyl)octylamino]- [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: 1.530
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.29
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 2.83
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 392.6±3.0 cm3

Click to predict properties on the Chemicalize site


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