ChemSpider 2D Image | 1-[4-(Methylsulfinyl)phenyl]-N-[(1-phenylcyclopentyl)methyl]ethanamine | C21H27NOS

1-[4-(Methylsulfinyl)phenyl]-N-[(1-phenylcyclopentyl)methyl]ethanamine

  • Molecular FormulaC21H27NOS
  • Average mass341.510 Da
  • Monoisotopic mass341.181335 Da
  • ChemSpider ID30434353

More details:

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

1-[4-(Methylsulfinyl)phenyl]-N-[(1-phenylcyclopentyl)methyl]ethanamin [German] [ACD/IUPAC Name]
1-[4-(Methylsulfinyl)phenyl]-N-[(1-phenylcyclopentyl)methyl]ethanamine [ACD/IUPAC Name]
1-[4-(Méthylsulfinyl)phényl]-N-[(1-phénylcyclopentyl)méthyl]éthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, α-methyl-4-(methylsulfinyl)-N-[(1-phenylcyclopentyl)methyl]- [ACD/Index Name]
[1-(4-METHANESULFINYLPHENYL)ETHYL][(1-PHENYLCYCLOPENTYL)METHYL]AMINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 498.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 255.1±24.0 °C
Index of Refraction: 1.615
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.31
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 22.48
ACD/KOC (pH 7.4): 127.22
Polar Surface Area: 48 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 297.0±5.0 cm3

Click to predict properties on the Chemicalize site


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