ChemSpider 2D Image | N-[(5-Methyl-2-thienyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine | C16H21NS2

N-[(5-Methyl-2-thienyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

  • Molecular FormulaC16H21NS2
  • Average mass291.475 Da
  • Monoisotopic mass291.111542 Da
  • ChemSpider ID37480294

More details:

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

Benzo[b]thiophene-2-methanamine, 4,5,6,7-tetrahydro-α-methyl-N-[(5-methyl-2-thienyl)methyl]- [ACD/Index Name]
N-[(5-Methyl-2-thienyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamin [German] [ACD/IUPAC Name]
N-[(5-Methyl-2-thienyl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine [ACD/IUPAC Name]
N-[(5-Méthyl-2-thiényl)méthyl]-1-(4,5,6,7-tétrahydro-1-benzothiophén-2-yl)éthanamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 413.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 203.9±27.3 °C
Index of Refraction: 1.609
Molar Refractivity: 86.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 14.73
ACD/KOC (pH 5.5): 55.30
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 726.40
ACD/KOC (pH 7.4): 2726.98
Polar Surface Area: 69 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 251.1±3.0 cm3

Click to predict properties on the Chemicalize site


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