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Search term: QHFGGEKKBIJNNU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[1-(2,5-Dichloro-3-thienyl)ethyl]-4-methoxy-2-butanamine | C11H17Cl2NOS

N-[1-(2,5-Dichloro-3-thienyl)ethyl]-4-methoxy-2-butanamine

  • Molecular FormulaC11H17Cl2NOS
  • Average mass282.230 Da
  • Monoisotopic mass281.040802 Da
  • ChemSpider ID41851999

More details:

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

3-Thiophenemethanamine, 2,5-dichloro-N-(3-methoxy-1-methylpropyl)-α-methyl- [ACD/Index Name]
N-[1-(2,5-Dichlor-3-thienyl)ethyl]-4-methoxy-2-butanamin [German] [ACD/IUPAC Name]
N-[1-(2,5-Dichloro-3-thienyl)ethyl]-4-methoxy-2-butanamine [ACD/IUPAC Name]
N-[1-(2,5-Dichloro-3-thiényl)éthyl]-4-méthoxy-2-butanamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 329.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 153.1±27.9 °C
Index of Refraction: 1.530
Molar Refractivity: 72.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 11.76
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 81.36
ACD/KOC (pH 7.4): 575.05
Polar Surface Area: 50 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 234.5±3.0 cm3

Click to predict properties on the Chemicalize site


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