ChemSpider 2D Image | N-Ethoxy-1-[4-(methylsulfanyl)phenyl]-2-propanamine | C12H19NOS

N-Ethoxy-1-[4-(methylsulfanyl)phenyl]-2-propanamine

  • Molecular FormulaC12H19NOS
  • Average mass225.350 Da
  • Monoisotopic mass225.118729 Da
  • ChemSpider ID62874744

More details:

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

Benzeneethanamine, N-ethoxy-α-methyl-4-(methylthio)- [ACD/Index Name]
N-Ethoxy-1-[4-(methylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
N-Ethoxy-1-[4-(methylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
N-Éthoxy-1-[4-(méthylsulfanyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
1204749-14-3 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 324.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 150.2±30.7 °C
Index of Refraction: 1.539
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 121.85
ACD/KOC (pH 5.5): 1024.49
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.75
ACD/KOC (pH 7.4): 1242.28
Polar Surface Area: 47 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 38.7±5.0 dyne/cm
Molar Volume: 216.9±5.0 cm3

Click to predict properties on the Chemicalize site


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