ChemSpider 2D Image | 3-[4-(Diethylamino)butoxy]-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one | C28H37NO8

3-[4-(Diethylamino)butoxy]-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one

  • Molecular FormulaC28H37NO8
  • Average mass515.595 Da
  • Monoisotopic mass515.251892 Da
  • ChemSpider ID58964955

More details:

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

3-[4-(Diethylamino)butoxy]-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-[4-(Diethylamino)butoxy]-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one [ACD/IUPAC Name]
3-[4-(Diéthylamino)butoxy]-5,7-diméthoxy-2-(3,4,5-triméthoxyphényl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[4-(diethylamino)butoxy]-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 356.1±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.43
Polar Surface Area: 85 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 427.3±5.0 cm3

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