ChemSpider 2D Image | 1-[5-(3,4-Dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine | C17H18N2O2S

1-[5-(3,4-Dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine

  • Molecular FormulaC17H18N2O2S
  • Average mass314.402 Da
  • Monoisotopic mass314.108887 Da
  • ChemSpider ID25058466

More details:

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

1-[5-(3,4-Dimethoxyphenyl)-1-benzothiophen-2-yl]methandiamin [German] [ACD/IUPAC Name]
1-[5-(3,4-Dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine [ACD/IUPAC Name]
1-[5-(3,4-Diméthoxyphényl)-1-benzothiophén-2-yl]méthanediamine [French] [ACD/IUPAC Name]
Methanediamine, 1-[5-(3,4-dimethoxyphenyl)benzo[b]thien-2-yl]- [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: 495.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.6±28.7 °C
Index of Refraction: 1.659
Molar Refractivity: 92.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.30
Polar Surface Area: 99 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 250.7±3.0 cm3

Click to predict properties on the Chemicalize site


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