ChemSpider 2D Image | N,N-Dimethyl-4-{[2-(2-thienyl)-1-azepanyl]methyl}aniline | C19H26N2S

N,N-Dimethyl-4-{[2-(2-thienyl)-1-azepanyl]methyl}aniline

  • Molecular FormulaC19H26N2S
  • Average mass314.488 Da
  • Monoisotopic mass314.181671 Da
  • ChemSpider ID23014157

More details:

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

Benzenamine, 4-[[hexahydro-2-(2-thienyl)-1H-azepin-1-yl]methyl]-N,N-dimethyl- [ACD/Index Name]
N,N-Dimethyl-4-{[2-(2-thienyl)-1-azepanyl]methyl}anilin [German] [ACD/IUPAC Name]
N,N-Dimethyl-4-{[2-(2-thienyl)-1-azepanyl]methyl}aniline [ACD/IUPAC Name]
N,N-Diméthyl-4-{[2-(2-thiényl)-1-azépanyl]méthyl}aniline [French] [ACD/IUPAC Name]
N,N-dimethyl-4-{[2-(2-thienyl)azepan-1-yl]methyl}aniline

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

Density: 1.1±0.1 g/cm3
Boiling Point: 435.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 217.0±27.3 °C
Index of Refraction: 1.600
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 2.87
ACD/KOC (pH 5.5): 13.11
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 143.31
ACD/KOC (pH 7.4): 653.71
Polar Surface Area: 35 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 285.2±3.0 cm3

Click to predict properties on the Chemicalize site


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