ChemSpider 2D Image | 2-(5-Chloro-2-phenyl-1-benzothiophen-3-yl)-N,N-dimethylethanamine | C18H18ClNS

2-(5-Chloro-2-phenyl-1-benzothiophen-3-yl)-N,N-dimethylethanamine

  • Molecular FormulaC18H18ClNS
  • Average mass315.860 Da
  • Monoisotopic mass315.084839 Da
  • ChemSpider ID34243017

More details:






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

2-(5-Chlor-2-phenyl-1-benzothiophen-3-yl)-N,N-dimethylethanamin [German] [ACD/IUPAC Name]
2-(5-Chloro-2-phenyl-1-benzothiophen-3-yl)-N,N-dimethylethanamine [ACD/IUPAC Name]
2-(5-Chloro-2-phényl-1-benzothiophén-3-yl)-N,N-diméthyléthanamine [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-ethanamine, 5-chloro-N,N-dimethyl-2-phenyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 465.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.6±28.7 °C
Index of Refraction: 1.637
Molar Refractivity: 94.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 12.37
ACD/KOC (pH 5.5): 29.25
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 179.25
ACD/KOC (pH 7.4): 423.86
Polar Surface Area: 31 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 263.3±3.0 cm3

Click to predict properties on the Chemicalize site






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