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Search term: HZILCAQYLMPMJC (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-[4-(Ethylsulfanyl)phenyl]-N-hydroxy-2-butanamine | C12H19NOS

1-[4-(Ethylsulfanyl)phenyl]-N-hydroxy-2-butanamine

  • Molecular FormulaC12H19NOS
  • Average mass225.350 Da
  • Monoisotopic mass225.118729 Da
  • ChemSpider ID24654741

More details:






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

1-[4-(Ethylsulfanyl)phenyl]-N-hydroxy-2-butanamin [German] [ACD/IUPAC Name]
1-[4-(Ethylsulfanyl)phenyl]-N-hydroxy-2-butanamine [ACD/IUPAC Name]
1-[4-(Éthylsulfanyl)phényl]-N-hydroxy-2-butanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-ethyl-4-(ethylthio)-N-hydroxy- [ACD/Index Name]
1204749-43-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 376.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 181.4±30.7 °C
Index of Refraction: 1.564
Molar Refractivity: 67.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 43.78
ACD/KOC (pH 5.5): 373.86
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 136.48
ACD/KOC (pH 7.4): 1165.48
Polar Surface Area: 58 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 208.2±5.0 cm3

Click to predict properties on the Chemicalize site






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