ChemSpider 2D Image | 1-(2-Methoxy-5-methylphenyl)-N-{2-[(2-methyl-2-propanyl)sulfinyl]ethyl}ethanamine | C16H27NO2S

1-(2-Methoxy-5-methylphenyl)-N-{2-[(2-methyl-2-propanyl)sulfinyl]ethyl}ethanamine

  • Molecular FormulaC16H27NO2S
  • Average mass297.456 Da
  • Monoisotopic mass297.176239 Da
  • ChemSpider ID35155385

More details:

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

1-(2-Methoxy-5-methylphenyl)-N-{2-[(2-methyl-2-propanyl)sulfinyl]ethyl}ethanamin [German] [ACD/IUPAC Name]
1-(2-Methoxy-5-methylphenyl)-N-{2-[(2-methyl-2-propanyl)sulfinyl]ethyl}ethanamine [ACD/IUPAC Name]
1-(2-Méthoxy-5-méthylphényl)-N-{2-[(2-méthyl-2-propanyl)sulfinyl]éthyl}éthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, N-[2-[(1,1-dimethylethyl)sulfinyl]ethyl]-2-methoxy-α,5-dimethyl- [ACD/Index Name]
[1-(2-METHOXY-5-METHYLPHENYL)ETHYL][2-(2-METHYLPROPANE-2-SULFINYL)ETHYL]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: 457.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 230.6±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 87.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.68
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 12.59
ACD/KOC (pH 7.4): 136.62
Polar Surface Area: 58 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 280.7±3.0 cm3

Click to predict properties on the Chemicalize site


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