ChemSpider 2D Image | 8-{1-[4-(Dimethylamino)phenyl]-3-(3-methyl-1-piperidinyl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one | C33H46N2O4

8-{1-[4-(Dimethylamino)phenyl]-3-(3-methyl-1-piperidinyl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one

  • Molecular FormulaC33H46N2O4
  • Average mass534.729 Da
  • Monoisotopic mass534.345764 Da
  • ChemSpider ID20577622

More details:

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

2H-1-Benzopyran-2-one, 8-[1-[4-(dimethylamino)phenyl]-3-(3-methyl-1-piperidinyl)propyl]-5,7-dimethoxy-4-pentyl- [ACD/Index Name]
8-{1-[4-(Dimethylamino)phenyl]-3-(3-methyl-1-piperidinyl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
8-{1-[4-(Dimethylamino)phenyl]-3-(3-methyl-1-piperidinyl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one [ACD/IUPAC Name]
8-{1-[4-(Diméthylamino)phényl]-3-(3-méthyl-1-pipéridinyl)propyl}-5,7-diméthoxy-4-pentyl-2H-chromén-2-one [French] [ACD/IUPAC Name]
4-amyl-8-[1-[4-(dimethylamino)phenyl]-3-(3-methylpiperidino)propyl]-5,7-dimethoxy-coumarin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 670.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.0±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 158.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 116.33
ACD/KOC (pH 5.5): 132.46
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 1557.77
ACD/KOC (pH 7.4): 1773.78
Polar Surface Area: 51 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 494.9±3.0 cm3

Click to predict properties on the Chemicalize site


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