ChemSpider 2D Image | (4S)-4-Butyl-1-phenyl-3,5-pyrazolidinedione | C13H16N2O2

(4S)-4-Butyl-1-phenyl-3,5-pyrazolidinedione

  • Molecular FormulaC13H16N2O2
  • Average mass232.278 Da
  • Monoisotopic mass232.121185 Da
  • ChemSpider ID32798941
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-4-Butyl-1-phenyl-3,5-pyrazolidindion [German] [ACD/IUPAC Name]
(4S)-4-Butyl-1-phenyl-3,5-pyrazolidinedione [ACD/IUPAC Name]
(4S)-4-Butyl-1-phényl-3,5-pyrazolidinedione [French] [ACD/IUPAC Name]
3,5-Pyrazolidinedione, 4-butyl-1-phenyl-, (4S)- [ACD/Index Name]
218-641-1 [EINECS]
2210-63-1 [RN]
Mofebutazone [INN] [Wiki]
UNII-SPW36WUI5Z

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

Density: 1.2±0.1 g/cm3
Boiling Point: 365.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 174.7±23.2 °C
Index of Refraction: 1.594
Molar Refractivity: 65.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.53
ACD/KOC (pH 5.5): 187.37
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 8.88
ACD/KOC (pH 7.4): 157.98
Polar Surface Area: 53 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 194.1±7.0 cm3

Click to predict properties on the Chemicalize site






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