ChemSpider 2D Image | 3-Ethyl-1-(3-methyl-1,4-dithian-2-yl)-N-propyl-1-pentanamine | C15H31NS2

3-Ethyl-1-(3-methyl-1,4-dithian-2-yl)-N-propyl-1-pentanamine

  • Molecular FormulaC15H31NS2
  • Average mass289.543 Da
  • Monoisotopic mass289.189789 Da
  • ChemSpider ID45008810

More details:

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

1,4-Dithiane-2-methanamine, α-(2-ethylbutyl)-3-methyl-N-propyl- [ACD/Index Name]
3-Ethyl-1-(3-methyl-1,4-dithian-2-yl)-N-propyl-1-pentanamin [German] [ACD/IUPAC Name]
3-Ethyl-1-(3-methyl-1,4-dithian-2-yl)-N-propyl-1-pentanamine [ACD/IUPAC Name]
3-Éthyl-1-(3-méthyl-1,4-dithian-2-yl)-N-propyl-1-pentanamine [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 382.5±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 185.1±20.9 °C
Index of Refraction: 1.503
Molar Refractivity: 89.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 6.65
ACD/KOC (pH 5.5): 18.46
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 72.14
ACD/KOC (pH 7.4): 200.26
Polar Surface Area: 63 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 302.3±3.0 cm3

Click to predict properties on the Chemicalize site


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