ChemSpider 2D Image | N-{1-[4-(Methylsulfanyl)phenyl]-2-propanyl}-2-propen-1-amine | C13H19NS

N-{1-[4-(Methylsulfanyl)phenyl]-2-propanyl}-2-propen-1-amine

  • Molecular FormulaC13H19NS
  • Average mass221.362 Da
  • Monoisotopic mass221.123825 Da
  • ChemSpider ID24656275

More details:

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

Benzeneethanamine, α-methyl-4-(methylthio)-N-2-propen-1-yl- [ACD/Index Name]
N-{1-[4-(Methylsulfanyl)phenyl]-2-propanyl}-2-propen-1-amin [German] [ACD/IUPAC Name]
N-{1-[4-(Methylsulfanyl)phenyl]-2-propanyl}-2-propen-1-amine [ACD/IUPAC Name]
N-{1-[4-(Méthylsulfanyl)phényl]-2-propanyl}-2-propén-1-amine [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 330.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 153.6±24.6 °C
Index of Refraction: 1.548
Molar Refractivity: 70.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 2.26
ACD/KOC (pH 7.4): 16.40
Polar Surface Area: 37 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 37.5±5.0 dyne/cm
Molar Volume: 222.3±5.0 cm3

Click to predict properties on the Chemicalize site


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