ChemSpider 2D Image | N-Hexadecyl-N-(3-methyl-4-sulfophenyl)-beta-alanine | C26H45NO5S

N-Hexadecyl-N-(3-methyl-4-sulfophenyl)-β-alanine

  • Molecular FormulaC26H45NO5S
  • Average mass483.704 Da
  • Monoisotopic mass483.301849 Da
  • ChemSpider ID102617011

More details:

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

N-Hexadecyl-N-(3-methyl-4-sulfophenyl)-β-alanin [German] [ACD/IUPAC Name]
N-Hexadecyl-N-(3-methyl-4-sulfophenyl)-β-alanine [ACD/IUPAC Name]
N-Hexadécyl-N-(3-méthyl-4-sulfophényl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-hexadecyl-N-(3-methyl-4-sulfophenyl)- [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: 1.524
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: 8.83
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 11.65
ACD/KOC (pH 5.5): 10.77
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 6.28
ACD/KOC (pH 7.4): 5.81
Polar Surface Area: 103 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 441.7±3.0 cm3

Click to predict properties on the Chemicalize site


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