ChemSpider 2D Image | 2,4-Bis(1-azepanylmethyl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione | C33H46N2O4

2,4-Bis(1-azepanylmethyl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione

  • Molecular FormulaC33H46N2O4
  • Average mass534.729 Da
  • Monoisotopic mass534.345764 Da
  • ChemSpider ID2324960

More details:

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

1,5-Pentanedione, 2,4-bis[(hexahydro-1H-azepin-1-yl)methyl]-1,5-bis(4-methoxyphenyl)- [ACD/Index Name]
2,4-Bis(1-azepanylmethyl)-1,5-bis(4-methoxyphenyl)-1,5-pentandion [German] [ACD/IUPAC Name]
2,4-Bis(1-azepanylmethyl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione [ACD/IUPAC Name]
2,4-Bis(1-azépanylméthyl)-1,5-bis(4-méthoxyphényl)-1,5-pentanedione [French] [ACD/IUPAC Name]
2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione
2,4-Bis-azepan-1-ylmethyl-1,5-bis-(4-methoxy-phenyl)-pentane-1,5-dione

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

Density: 1.1±0.1 g/cm3
Boiling Point: 672.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.6±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 156.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 2.94
ACD/KOC (pH 5.5): 5.17
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 58.68
ACD/KOC (pH 7.4): 103.12
Polar Surface Area: 59 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 494.2±3.0 cm3

Click to predict properties on the Chemicalize site


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