ChemSpider 2D Image | 2-(3-Dimethylamino-propyl)-benzo[de]isoquinoline-1,3-dithione | C17H18N2S2

2-(3-Dimethylamino-propyl)-benzo[de]isoquinoline-1,3-dithione

  • Molecular FormulaC17H18N2S2
  • Average mass314.468 Da
  • Monoisotopic mass314.091125 Da
  • ChemSpider ID21108210

More details:

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

1H-Benz[de]isoquinoline-1,3(2H)-dithione, 2-[3-(dimethylamino)propyl]- [ACD/Index Name]
2-(3-Dimethylamino-propyl)-benzo[de]isoquinoline-1,3-dithione
2-[3-(Dimethylamino)propyl]-1H-benzo[de]isochinolin-1,3(2H)-dithion [German] [ACD/IUPAC Name]
2-[3-(Diméthylamino)propyl]-1H-benzo[de]isoquinoléine-1,3(2H)-dithione [French] [ACD/IUPAC Name]
2-[3-(Dimethylamino)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dithione [ACD/IUPAC Name]
227936-51-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 475.3±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.3±29.3 °C
Index of Refraction: 1.728
Molar Refractivity: 96.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.73
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 4.49
ACD/KOC (pH 7.4): 33.79
Polar Surface Area: 71 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 242.7±5.0 cm3

Click to predict properties on the Chemicalize site


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