ChemSpider 2D Image | 1-(3-Methylbenzyl)-2-(2-thienyl)azepane | C18H23NS

1-(3-Methylbenzyl)-2-(2-thienyl)azepane

  • Molecular FormulaC18H23NS
  • Average mass285.447 Da
  • Monoisotopic mass285.155121 Da
  • ChemSpider ID23014211

More details:

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

1-(3-Methylbenzyl)-2-(2-thienyl)azepan [German] [ACD/IUPAC Name]
1-(3-Methylbenzyl)-2-(2-thienyl)azepane [ACD/IUPAC Name]
1-(3-Méthylbenzyl)-2-(2-thiényl)azépane [French] [ACD/IUPAC Name]
1H-Azepine, hexahydro-1-[(3-methylphenyl)methyl]-2-(2-thienyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 393.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 191.5±24.6 °C
Index of Refraction: 1.583
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 7.28
ACD/KOC (pH 5.5): 28.23
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 367.85
ACD/KOC (pH 7.4): 1426.14
Polar Surface Area: 31 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 263.5±3.0 cm3

Click to predict properties on the Chemicalize site


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