ChemSpider 2D Image | 1-(4-Chlorophenoxy)-3-[isobutyl(3-thienylmethyl)amino]-2-propanol | C18H24ClNO2S

1-(4-Chlorophenoxy)-3-[isobutyl(3-thienylmethyl)amino]-2-propanol

  • Molecular FormulaC18H24ClNO2S
  • Average mass353.907 Da
  • Monoisotopic mass353.121613 Da
  • ChemSpider ID22625773

More details:

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

1-(4-Chlorophenoxy)-3-[isobutyl(3-thienylmethyl)amino]-2-propanol [ACD/IUPAC Name]
1-(4-Chlorophénoxy)-3-[isobutyl(3-thiénylméthyl)amino]-2-propanol [French] [ACD/IUPAC Name]
1-(4-Chlorphenoxy)-3-[isobutyl(3-thienylmethyl)amino]-2-propanol [German] [ACD/IUPAC Name]
2-Propanol, 1-(4-chlorophenoxy)-3-[(2-methylpropyl)(3-thienylmethyl)amino]- [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: 484.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 246.8±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 8.94
ACD/KOC (pH 5.5): 40.36
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 427.52
ACD/KOC (pH 7.4): 1930.86
Polar Surface Area: 61 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 296.6±3.0 cm3

Click to predict properties on the Chemicalize site


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