ChemSpider 2D Image | 1-{4-[4-(4-Biphenylyl)-1H-1,2,3-triazol-1-yl]butyl}-4-(2,3-dichlorophenyl)piperazine | C28H29Cl2N5

1-{4-[4-(4-Biphenylyl)-1H-1,2,3-triazol-1-yl]butyl}-4-(2,3-dichlorophenyl)piperazine

  • Molecular FormulaC28H29Cl2N5
  • Average mass506.469 Da
  • Monoisotopic mass505.179993 Da
  • ChemSpider ID58978223

More details:

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

1-{4-[4-(4-Biphenylyl)-1H-1,2,3-triazol-1-yl]butyl}-4-(2,3-dichlorophenyl)piperazine [ACD/IUPAC Name]
1-{4-[4-(4-Biphénylyl)-1H-1,2,3-triazol-1-yl]butyl}-4-(2,3-dichlorophényl)pipérazine [French] [ACD/IUPAC Name]
1-{4-[4-(4-Biphenylyl)-1H-1,2,3-triazol-1-yl]butyl}-4-(2,3-dichlorphenyl)piperazin [German] [ACD/IUPAC Name]
Piperazine, 1-[4-(4-[1,1'-biphenyl]-4-yl-1H-1,2,3-triazol-1-yl)butyl]-4-(2,3-dichlorophenyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 698.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.5±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 146.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 1037.70
ACD/KOC (pH 5.5): 1655.77
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 31402.24
ACD/KOC (pH 7.4): 50105.71
Polar Surface Area: 37 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 400.7±7.0 cm3

Click to predict properties on the Chemicalize site


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