ChemSpider 2D Image | 9-{[5-(2-Chlorophenyl)-2-furyl]methyl}-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane | C21H28ClN3O

9-{[5-(2-Chlorophenyl)-2-furyl]methyl}-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane

  • Molecular FormulaC21H28ClN3O
  • Average mass373.919 Da
  • Monoisotopic mass373.192078 Da
  • ChemSpider ID29586716

More details:






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

1,4,9-Triazaspiro[5.5]undecane, 9-[[5-(2-chlorophenyl)-2-furanyl]methyl]-1,4-dimethyl- [ACD/Index Name]
9-{[5-(2-Chlorophenyl)-2-furyl]methyl}-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane [ACD/IUPAC Name]
9-{[5-(2-Chlorophényl)-2-furyl]méthyl}-1,4-diméthyl-1,4,9-triazaspiro[5.5]undécane [French] [ACD/IUPAC Name]
9-{[5-(2-Chlorphenyl)-2-furyl]methyl}-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 460.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 232.4±28.7 °C
Index of Refraction: 1.622
Molar Refractivity: 107.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 13.39
ACD/KOC (pH 7.4): 92.39
Polar Surface Area: 23 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 304.7±5.0 cm3

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