ChemSpider 2D Image | 3-(3,4-Dichlorophenyl)-3-[2-(dimethylamino)ethyl]-6,7-dimethyl-3,4-dihydro-1H-isochromen-1-one | C21H23Cl2NO2

3-(3,4-Dichlorophenyl)-3-[2-(dimethylamino)ethyl]-6,7-dimethyl-3,4-dihydro-1H-isochromen-1-one

  • Molecular FormulaC21H23Cl2NO2
  • Average mass392.319 Da
  • Monoisotopic mass391.110596 Da
  • ChemSpider ID25047444

More details:

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

1H-2-Benzopyran-1-one, 3-(3,4-dichlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-6,7-dimethyl- [ACD/Index Name]
3-(3,4-Dichlorophenyl)-3-[2-(dimethylamino)ethyl]-6,7-dimethyl-3,4-dihydro-1H-isochromen-1-one [ACD/IUPAC Name]
3-(3,4-Dichlorophényl)-3-[2-(diméthylamino)éthyl]-6,7-diméthyl-3,4-dihydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]
3-(3,4-Dichlorphenyl)-3-[2-(dimethylamino)ethyl]-6,7-dimethyl-3,4-dihydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
1236376-40-1 [RN]
3-(3,4-Dichlorophenyl)-3-(2-(dimethylamino)ethyl)-6,7-dimethylisochroman-1-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.2±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 106.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 21.87
ACD/KOC (pH 5.5): 44.31
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 353.13
ACD/KOC (pH 7.4): 715.59
Polar Surface Area: 30 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 320.7±3.0 cm3

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