ChemSpider 2D Image | N-{3-[4-Isobutyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]propyl}-1-methyl-4-piperidinamine | C16H31N5S

N-{3-[4-Isobutyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]propyl}-1-methyl-4-piperidinamine

  • Molecular FormulaC16H31N5S
  • Average mass325.516 Da
  • Monoisotopic mass325.230011 Da
  • ChemSpider ID57783263

More details:

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

4-Piperidinamine, 1-methyl-N-[3-[4-(2-methylpropyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]propyl]- [ACD/Index Name]
N-{3-[4-Isobutyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]propyl}-1-methyl-4-piperidinamin [German] [ACD/IUPAC Name]
N-{3-[4-Isobutyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]propyl}-1-methyl-4-piperidinamine [ACD/IUPAC Name]
N-{3-[4-Isobutyl-5-(méthylsulfanyl)-4H-1,2,4-triazol-3-yl]propyl}-1-méthyl-4-pipéridinamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 487.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 248.9±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 95.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.66
Polar Surface Area: 71 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 279.9±7.0 cm3

Click to predict properties on the Chemicalize site


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