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

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

  • Molecular FormulaC13H24N4O3S
  • Average mass316.420 Da
  • Monoisotopic mass316.156921 Da
  • ChemSpider ID22521284

More details:

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

(1-{[1-(Butylsulfonyl)-3-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanol [ACD/IUPAC Name]
(1-{[1-(Butylsulfonyl)-3-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanol [German] [ACD/IUPAC Name]
(1-{[1-(Butylsulfonyl)-3-pipéridinyl]méthyl}-1H-1,2,3-triazol-4-yl)méthanol [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-methanol, 1-[[1-(butylsulfonyl)-3-piperidinyl]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 515.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 265.8±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 81.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 41.53
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 41.53
Polar Surface Area: 97 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 232.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement