ChemSpider 2D Image | 2-[Hexadecyl(4H-1,2,4-triazol-4-yl)amino]octanoic acid | C26H50N4O2

2-[Hexadecyl(4H-1,2,4-triazol-4-yl)amino]octanoic acid

  • Molecular FormulaC26H50N4O2
  • Average mass450.701 Da
  • Monoisotopic mass450.393372 Da
  • ChemSpider ID108653968

More details:

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

2-[Hexadecyl(4H-1,2,4-triazol-4-yl)amino]octanoic acid [ACD/IUPAC Name]
2-[Hexadecyl(4H-1,2,4-triazol-4-yl)amino]octansäure [German] [ACD/IUPAC Name]
Acide 2-[hexadécyl(4H-1,2,4-triazol-4-yl)amino]octanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 2-(hexadecyl-4H-1,2,4-triazol-4-ylamino)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 577.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.3±30.7 °C
Index of Refraction: 1.518
Molar Refractivity: 135.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 9.53
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 79031.98
ACD/KOC (pH 5.5): 33721.87
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 1976.13
ACD/KOC (pH 7.4): 843.19
Polar Surface Area: 71 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 38.0±7.0 dyne/cm
Molar Volume: 446.1±7.0 cm3

Click to predict properties on the Chemicalize site


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