ChemSpider 2D Image | 3-Methyl-N-[3-(methylsulfanyl)propyl]-1-phenyl-1-butanamine | C15H25NS

3-Methyl-N-[3-(methylsulfanyl)propyl]-1-phenyl-1-butanamine

  • Molecular FormulaC15H25NS
  • Average mass251.431 Da
  • Monoisotopic mass251.170776 Da
  • ChemSpider ID34455197

More details:

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

3-Methyl-N-[3-(methylsulfanyl)propyl]-1-phenyl-1-butanamin [German] [ACD/IUPAC Name]
3-Methyl-N-[3-(methylsulfanyl)propyl]-1-phenyl-1-butanamine [ACD/IUPAC Name]
3-Méthyl-N-[3-(méthylsulfanyl)propyl]-1-phényl-1-butanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, α-(2-methylpropyl)-N-[3-(methylthio)propyl]- [ACD/Index Name]
(3-methyl-1-phenylbutyl)[3-(methylsulfanyl)propyl]amine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 349.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 164.9±23.2 °C
Index of Refraction: 1.522
Molar Refractivity: 79.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 2.02
ACD/KOC (pH 5.5): 7.78
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 16.18
ACD/KOC (pH 7.4): 62.29
Polar Surface Area: 37 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 261.7±3.0 cm3

Click to predict properties on the Chemicalize site


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