ChemSpider 2D Image | 2-[(8-Chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-bis[(~2~H_3_)methyl]ethanamine | C18H12D6ClNOS

2-[(8-Chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-bis[(2H3)methyl]ethanamine

  • Molecular FormulaC18H12D6ClNOS
  • Average mass337.897 Da
  • Monoisotopic mass337.117432 Da
  • ChemSpider ID77494230

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[(8-Chlordibenzo[b,f]thiepin-10-yl)oxy]-N,N-bis[(2H3)methyl]ethanamin [German] [ACD/IUPAC Name]
2-[(8-Chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-bis[(2H3)methyl]ethanamine [ACD/IUPAC Name]
2-[(8-Chlorodibenzo[b,f]thiépin-10-yl)oxy]-N,N-bis[(2H3)méthyl]éthanamine [French] [ACD/IUPAC Name]
Ethanamine, 2-[(8-chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-di(methyl-d3)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 478.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.2±28.7 °C
Index of Refraction: 1.656
Molar Refractivity: 95.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 10.51
ACD/KOC (pH 5.5): 28.96
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 350.57
ACD/KOC (pH 7.4): 965.76
Polar Surface Area: 38 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 259.6±5.0 cm3

Click to predict properties on the Chemicalize site


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