ChemSpider 2D Image | 2-(4-{2-[1,3-Benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid | C27H36N2O4

2-(4-{2-[1,3-Benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid

  • Molecular FormulaC27H36N2O4
  • Average mass452.586 Da
  • Monoisotopic mass452.267517 Da
  • ChemSpider ID22377055

More details:

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

2-(4-{2-[1,3-Benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid [ACD/IUPAC Name]
2-(4-{2-[1,3-Benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutansäure [German] [ACD/IUPAC Name]
Acide 2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]éthyl}phénoxy)-2-méthylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[4-[2-(2-benzoxazolylheptylamino)ethyl]phenoxy]-2-methyl- [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: 588.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 309.6±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.83
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 2452.80
ACD/KOC (pH 5.5): 2232.84
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 96.24
ACD/KOC (pH 7.4): 87.61
Polar Surface Area: 76 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 398.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement