ChemSpider 2D Image | 4-{[1-(2,5-Dichloro-3-thienyl)ethyl]amino}-3-methyl-1-butanol | C11H17Cl2NOS

4-{[1-(2,5-Dichloro-3-thienyl)ethyl]amino}-3-methyl-1-butanol

  • Molecular FormulaC11H17Cl2NOS
  • Average mass282.230 Da
  • Monoisotopic mass281.040802 Da
  • ChemSpider ID41863385

More details:






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

1-Butanol, 4-[[1-(2,5-dichloro-3-thienyl)ethyl]amino]-3-methyl- [ACD/Index Name]
4-{[1-(2,5-Dichlor-3-thienyl)ethyl]amino}-3-methyl-1-butanol [German] [ACD/IUPAC Name]
4-{[1-(2,5-Dichloro-3-thienyl)ethyl]amino}-3-methyl-1-butanol [ACD/IUPAC Name]
4-{[1-(2,5-Dichloro-3-thiényl)éthyl]amino}-3-méthyl-1-butanol [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 358.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 170.7±27.9 °C
Index of Refraction: 1.553
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.60
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 28.26
ACD/KOC (pH 7.4): 234.45
Polar Surface Area: 61 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 225.6±3.0 cm3

Click to predict properties on the Chemicalize site






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