ChemSpider 2D Image | 1-(1-{[1-(Isopropylsulfonyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)ethanol | C13H24N4O3S

1-(1-{[1-(Isopropylsulfonyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)ethanol

  • Molecular FormulaC13H24N4O3S
  • Average mass316.420 Da
  • Monoisotopic mass316.156921 Da
  • ChemSpider ID22502437

More details:






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

1-(1-{[1-(Isopropylsulfonyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)ethanol [ACD/IUPAC Name]
1-(1-{[1-(Isopropylsulfonyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)ethanol [German] [ACD/IUPAC Name]
1-(1-{[1-(Isopropylsulfonyl)-4-pipéridinyl]méthyl}-1H-1,2,3-triazol-4-yl)éthanol [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-methanol, α-methyl-1-[[1-[(1-methylethyl)sulfonyl]-4-piperidinyl]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 497.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 254.7±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 81.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.34
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.34
Polar Surface Area: 97 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 230.9±7.0 cm3

Click to predict properties on the Chemicalize site






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