ChemSpider 2D Image | N-[4-(4-Fluoro-2-thienyl)-2-methyl-3-butyn-2-yl]-2,4,4-trimethyl-2-pentanamine | C17H26FNS

N-[4-(4-Fluoro-2-thienyl)-2-methyl-3-butyn-2-yl]-2,4,4-trimethyl-2-pentanamine

  • Molecular FormulaC17H26FNS
  • Average mass295.458 Da
  • Monoisotopic mass295.177002 Da
  • ChemSpider ID96157675

More details:

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

2-Pentanamine, N-[3-(4-fluoro-2-thienyl)-1,1-dimethyl-2-propyn-1-yl]-2,4,4-trimethyl- [ACD/Index Name]
N-[4-(4-Fluor-2-thienyl)-2-methyl-3-butin-2-yl]-2,4,4-trimethyl-2-pentanamin [German] [ACD/IUPAC Name]
N-[4-(4-Fluoro-2-thienyl)-2-methyl-3-butyn-2-yl]-2,4,4-trimethyl-2-pentanamine [ACD/IUPAC Name]
N-[4-(4-Fluoro-2-thiényl)-2-méthyl-3-butyn-2-yl]-2,4,4-triméthyl-2-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: 357.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 169.9±26.5 °C
Index of Refraction: 1.511
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 89.62
ACD/KOC (pH 5.5): 262.48
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3213.82
ACD/KOC (pH 7.4): 9412.78
Polar Surface Area: 40 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 36.1±5.0 dyne/cm
Molar Volume: 290.1±5.0 cm3

Click to predict properties on the Chemicalize site


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