ChemSpider 2D Image | N-{[(8E)-8-({[4-Cyclohexyl-3-(trifluoromethyl)benzyl]oxy}imino)-5,6,7,8-tetrahydro-2-naphthalenyl]methyl}-beta-alanine | C28H33F3N2O3

N-{[(8E)-8-({[4-Cyclohexyl-3-(trifluoromethyl)benzyl]oxy}imino)-5,6,7,8-tetrahydro-2-naphthalenyl]methyl}-β-alanine

  • Molecular FormulaC28H33F3N2O3
  • Average mass502.568 Da
  • Monoisotopic mass502.244324 Da
  • ChemSpider ID9389308

  • Double-bond stereo - Double-bond stereo

More details:

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

N-{[(8E)-8-({[4-Cyclohexyl-3-(trifluormethyl)benzyl]oxy}imino)-5,6,7,8-tetrahydro-2-naphthalinyl]methyl}-β-alanin [German] [ACD/IUPAC Name]
N-{[(8E)-8-({[4-Cyclohexyl-3-(trifluorométhyl)benzyl]oxy}imino)-5,6,7,8-tétrahydro-2-naphtalényl]méthyl}-β-alanine [French] [ACD/IUPAC Name]
N-{[(8E)-8-({[4-Cyclohexyl-3-(trifluoromethyl)benzyl]oxy}imino)-5,6,7,8-tetrahydro-2-naphthalenyl]methyl}-β-alanine [ACD/IUPAC Name]
β-Alanine, N-[[(8E)-8-[[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]-5,6,7,8-tetrahydro-2-naphthalenyl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 336.7±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 130.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 120.39
ACD/KOC (pH 5.5): 208.88
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 120.63
ACD/KOC (pH 7.4): 209.30
Polar Surface Area: 71 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 393.3±7.0 cm3

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