ChemSpider 2D Image | 1-(4-Chloro-3-methylphenoxy)-3-{[4-(methylsulfanyl)-2-butanyl]amino}-2-propanol | C15H24ClNO2S

1-(4-Chloro-3-methylphenoxy)-3-{[4-(methylsulfanyl)-2-butanyl]amino}-2-propanol

  • Molecular FormulaC15H24ClNO2S
  • Average mass317.875 Da
  • Monoisotopic mass317.121613 Da
  • ChemSpider ID22350431

More details:

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

1-(4-Chlor-3-methylphenoxy)-3-{[4-(methylsulfanyl)-2-butanyl]amino}-2-propanol [German] [ACD/IUPAC Name]
1-(4-Chloro-3-methylphenoxy)-3-{[4-(methylsulfanyl)-2-butanyl]amino}-2-propanol [ACD/IUPAC Name]
1-(4-Chloro-3-méthylphénoxy)-3-{[4-(méthylsulfanyl)-2-butanyl]amino}-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(4-chloro-3-methylphenoxy)-3-[[1-methyl-3-(methylthio)propyl]amino]- [ACD/Index Name]
1-(4-chloro-3-methylphenoxy)-3-{[1-methyl-3-(methylthio)propyl]amino}-2-propanol
1-(4-CHLORO-3-METHYLPHENOXY)-3-{[4-(METHYLSULFANYL)BUTAN-2-YL]AMINO}PROPAN-2-OL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 463.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 234.0±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.03
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 13.78
ACD/KOC (pH 7.4): 73.33
Polar Surface Area: 67 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 278.3±3.0 cm3

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