ChemSpider 2D Image | 1-[4-(Methylsulfanyl)phenyl]-N-propyl-2-butanamine | C14H23NS

1-[4-(Methylsulfanyl)phenyl]-N-propyl-2-butanamine

  • Molecular FormulaC14H23NS
  • Average mass237.404 Da
  • Monoisotopic mass237.155121 Da
  • ChemSpider ID24653752

More details:

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

1-[4-(Methylsulfanyl)phenyl]-N-propyl-2-butanamin [German] [ACD/IUPAC Name]
1-[4-(Methylsulfanyl)phenyl]-N-propyl-2-butanamine [ACD/IUPAC Name]
1-[4-(Méthylsulfanyl)phényl]-N-propyl-2-butanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-ethyl-4-(methylthio)-N-propyl- [ACD/Index 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: 340.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 159.9±23.2 °C
Index of Refraction: 1.532
Molar Refractivity: 75.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.92
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 5.57
Polar Surface Area: 37 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 243.4±5.0 cm3

Click to predict properties on the Chemicalize site


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