ChemSpider 2D Image | 1-[Hexadecyl(2-oxopropyl)amino]-4a,9a-dihydro-9,10-anthracenedione | C33H47NO3

1-[Hexadecyl(2-oxopropyl)amino]-4a,9a-dihydro-9,10-anthracenedione

  • Molecular FormulaC33H47NO3
  • Average mass505.731 Da
  • Monoisotopic mass505.355591 Da
  • ChemSpider ID103520414

More details:

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

1-[Hexadecyl(2-oxopropyl)amino]-4a,9a-dihydro-9,10-anthracendion [German] [ACD/IUPAC Name]
1-[Hexadecyl(2-oxopropyl)amino]-4a,9a-dihydro-9,10-anthracenedione [ACD/IUPAC Name]
1-[Hexadécyl(2-oxopropyl)amino]-4a,9a-dihydro-9,10-anthracènedione [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 1-[hexadecyl(2-oxopropyl)amino]-4a,9a-dihydro- [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: 646.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 246.0±23.9 °C
Index of Refraction: 1.549
Molar Refractivity: 151.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 11.05
ACD/LogD (pH 5.5): 10.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6797695.50
ACD/LogD (pH 7.4): 10.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6806089.50
Polar Surface Area: 54 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 475.9±5.0 cm3

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