ChemSpider 2D Image | 1-(3,4-Dimethylbenzyl)-2-(2-thienyl)azepane | C19H25NS

1-(3,4-Dimethylbenzyl)-2-(2-thienyl)azepane

  • Molecular FormulaC19H25NS
  • Average mass299.474 Da
  • Monoisotopic mass299.170776 Da
  • ChemSpider ID23014141

More details:

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

1-(3,4-Dimethylbenzyl)-2-(2-thienyl)azepan [German] [ACD/IUPAC Name]
1-(3,4-Dimethylbenzyl)-2-(2-thienyl)azepane [ACD/IUPAC Name]
1-(3,4-Diméthylbenzyl)-2-(2-thiényl)azépane [French] [ACD/IUPAC Name]
1H-Azepine, 1-[(3,4-dimethylphenyl)methyl]hexahydro-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: 411.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 202.8±25.4 °C
Index of Refraction: 1.578
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 11.33
ACD/KOC (pH 5.5): 38.55
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 571.22
ACD/KOC (pH 7.4): 1943.91
Polar Surface Area: 31 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 279.8±3.0 cm3

Click to predict properties on the Chemicalize site


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