ChemSpider 2D Image | 3-[(1R)-3,3-Dimethyl-1-phenyl-1,3-dihydro-2-benzothiophen-1-yl]-N-methyl-1-propanamine | C20H25NS

3-[(1R)-3,3-Dimethyl-1-phenyl-1,3-dihydro-2-benzothiophen-1-yl]-N-methyl-1-propanamine

  • Molecular FormulaC20H25NS
  • Average mass311.484 Da
  • Monoisotopic mass311.170776 Da
  • ChemSpider ID34989600

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(1R)-3,3-Dimethyl-1-phenyl-1,3-dihydro-2-benzothiophen-1-yl]-N-methyl-1-propanamin [German] [ACD/IUPAC Name]
3-[(1R)-3,3-Dimethyl-1-phenyl-1,3-dihydro-2-benzothiophen-1-yl]-N-methyl-1-propanamine [ACD/IUPAC Name]
3-[(1R)-3,3-Diméthyl-1-phényl-1,3-dihydro-2-benzothiophén-1-yl]-N-méthyl-1-propanamine [French] [ACD/IUPAC Name]
Benzo[c]thiophene-1-propanamine, 1,3-dihydro-N,3,3-trimethyl-1-phenyl-, (1R)- [ACD/Index Name]
21489-20-3 [RN]
Talsupram [INN] [Wiki]
UNII-C6Z73MW6CR

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

Density: 1.0±0.1 g/cm3
Boiling Point: 427.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.4±28.7 °C
Index of Refraction: 1.569
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 5.66
ACD/KOC (pH 5.5): 15.87
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 10.49
ACD/KOC (pH 7.4): 29.45
Polar Surface Area: 37 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 298.4±3.0 cm3

Click to predict properties on the Chemicalize site


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