ChemSpider 2D Image | N-[2-(tert-Butylamino)-1-(2-naphthyl)-2-oxoethyl]-N-methyl-4-(pyren-1-yl)butanamide | C37H36N2O2

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

  • Molecular FormulaC37H36N2O2
  • Average mass540.694 Da
  • Monoisotopic mass540.277649 Da
  • ChemSpider ID21105841

More details:






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

1-Pyrenebutanamide, N-[2-[(1,1-dimethylethyl)amino]-1-(2-naphthalenyl)-2-oxoethyl]-N-methyl- [ACD/Index Name]
N-[2-(tert-Butylamino)-1-(2-naphthyl)-2-oxoethyl]-N-methyl-4-(pyren-1-yl)butanamide
N-[2-(tert-butylamino)-1-(naphthalen-2-yl)-2-oxoethyl]-N-methyl-4-(pyren-1-yl)butanamide
N-Methyl-N-{2-[(2-methyl-2-propanyl)amino]-1-(2-naphthyl)-2-oxoethyl}-4-(1-pyrenyl)butanamid [German] [ACD/IUPAC Name]
N-Methyl-N-{2-[(2-methyl-2-propanyl)amino]-1-(2-naphthyl)-2-oxoethyl}-4-(1-pyrenyl)butanamide [ACD/IUPAC Name]
N-Méthyl-N-{2-[(2-méthyl-2-propanyl)amino]-1-(2-naphtyl)-2-oxoéthyl}-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: 788.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 430.8±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 173.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 392603.44
ACD/KOC (pH 5.5): 351337.78
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 392603.44
ACD/KOC (pH 7.4): 351337.78
Polar Surface Area: 49 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 449.3±3.0 cm3

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