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Search term: PBIYJCMQTFIYHR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-{[1-(2,5-Dichloro-3-thienyl)ethyl]amino}-2,2-dimethyl-1-propanol | C11H17Cl2NOS

3-{[1-(2,5-Dichloro-3-thienyl)ethyl]amino}-2,2-dimethyl-1-propanol

  • Molecular FormulaC11H17Cl2NOS
  • Average mass282.230 Da
  • Monoisotopic mass281.040802 Da
  • ChemSpider ID42501425

More details:

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

1-Propanol, 3-[[1-(2,5-dichloro-3-thienyl)ethyl]amino]-2,2-dimethyl- [ACD/Index Name]
3-{[1-(2,5-Dichlor-3-thienyl)ethyl]amino}-2,2-dimethyl-1-propanol [German] [ACD/IUPAC Name]
3-{[1-(2,5-Dichloro-3-thienyl)ethyl]amino}-2,2-dimethyl-1-propanol [ACD/IUPAC Name]
3-{[1-(2,5-Dichloro-3-thiényl)éthyl]amino}-2,2-diméthyl-1-propanol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 360.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 171.8±27.9 °C
Index of Refraction: 1.554
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 8.29
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 51.97
ACD/KOC (pH 7.4): 410.50
Polar Surface Area: 61 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 225.3±3.0 cm3

Click to predict properties on the Chemicalize site


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