ChemSpider 2D Image | N-[(4-Hydroxy-4-azepanyl)methyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide | C13H24N4O3S

N-[(4-Hydroxy-4-azepanyl)methyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide

  • Molecular FormulaC13H24N4O3S
  • Average mass316.420 Da
  • Monoisotopic mass316.156921 Da
  • ChemSpider ID29735914

More details:

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

1H-Pyrazole-4-sulfonamide, N-[(hexahydro-4-hydroxy-1H-azepin-4-yl)methyl]-1,3,5-trimethyl- [ACD/Index Name]
N-[(4-Hydroxy-4-azepanyl)methyl]-1,3,5-trimethyl-1H-pyrazol-4-sulfonamid [German] [ACD/IUPAC Name]
N-[(4-Hydroxy-4-azepanyl)methyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide [ACD/IUPAC Name]
N-[(4-Hydroxy-4-azépanyl)méthyl]-1,3,5-triméthyl-1H-pyrazole-4-sulfonamide [French] [ACD/IUPAC 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: 508.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 261.1±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 81.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -2.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 230.2±7.0 cm3

Click to predict properties on the Chemicalize site


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