ChemSpider 2D Image | N-[2-(tert-Butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-methyl-4-(pyren-1-yl)butanamide | C35H38N2O2

N-[2-(tert-Butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-methyl-4-(pyren-1-yl)butanamide

  • Molecular FormulaC35H38N2O2
  • Average mass518.688 Da
  • Monoisotopic mass518.293335 Da
  • ChemSpider ID21106206

More details:






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

1-Pyrenebutanamide, N-[2-[(1,1-dimethylethyl)amino]-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-methyl- [ACD/Index Name]
N-[2-(tert-Butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-methyl-4-(pyren-1-yl)butanamide
N-{1-(2,4-Dimethylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N-methyl-4-(1-pyrenyl)butanamid [German] [ACD/IUPAC Name]
N-{1-(2,4-Dimethylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N-methyl-4-(1-pyrenyl)butanamide [ACD/IUPAC Name]
N-{1-(2,4-Diméthylphényl)-2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}-N-méthyl-4-(1-pyrényl)butanamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 746.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.2±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 165.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 179589.73
ACD/KOC (pH 5.5): 200720.09
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 179589.73
ACD/KOC (pH 7.4): 200720.09
Polar Surface Area: 49 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 447.7±3.0 cm3

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