ChemSpider 2D Image | 1-(4-Chlorophenyl)-1-[(3-methylphenyl)sulfanyl]-2-butanamine | C17H20ClNS

1-(4-Chlorophenyl)-1-[(3-methylphenyl)sulfanyl]-2-butanamine

  • Molecular FormulaC17H20ClNS
  • Average mass305.865 Da
  • Monoisotopic mass305.100494 Da
  • ChemSpider ID43152343

More details:

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

1-(4-Chlorophenyl)-1-[(3-methylphenyl)sulfanyl]-2-butanamine [ACD/IUPAC Name]
1-(4-Chlorophényl)-1-[(3-méthylphényl)sulfanyl]-2-butanamine [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-1-[(3-methylphenyl)sulfanyl]-2-butanamin [German] [ACD/IUPAC Name]
Benzeneethanamine, 4-chloro-α-ethyl-β-[(3-methylphenyl)thio]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 422.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 209.4±28.7 °C
Index of Refraction: 1.612
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 8.08
ACD/KOC (pH 5.5): 30.52
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 408.80
ACD/KOC (pH 7.4): 1543.65
Polar Surface Area: 51 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 261.7±5.0 cm3

Click to predict properties on the Chemicalize site


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