ChemSpider 2D Image | 1-[4-(Pentylsulfanyl)phenyl]-2-butanamine | C15H25NS

1-[4-(Pentylsulfanyl)phenyl]-2-butanamine

  • Molecular FormulaC15H25NS
  • Average mass251.431 Da
  • Monoisotopic mass251.170776 Da
  • ChemSpider ID47587654

More details:

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

1-[4-(Pentylsulfanyl)phenyl]-2-butanamin [German] [ACD/IUPAC Name]
1-[4-(Pentylsulfanyl)phenyl]-2-butanamine [ACD/IUPAC Name]
1-[4-(Pentylsulfanyl)phényl]-2-butanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-ethyl-4-(pentylthio)- [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: 366.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 175.6±23.2 °C
Index of Refraction: 1.538
Molar Refractivity: 80.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 2.32
ACD/KOC (pH 5.5): 8.45
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 9.95
ACD/KOC (pH 7.4): 36.30
Polar Surface Area: 51 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 255.7±5.0 cm3

Click to predict properties on the Chemicalize site


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