ChemSpider 2D Image | 1-{2-[1-(2-Cyanophenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepin-3-yl]ethyl}piperidinium | C21H28N5

1-{2-[1-(2-Cyanophenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepin-3-yl]ethyl}piperidinium

  • Molecular FormulaC21H28N5
  • Average mass350.480 Da
  • Monoisotopic mass350.233917 Da
  • ChemSpider ID21219702
  • Charge - Charge


More details:






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

1-{2-[1-(2-Cyanophenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepin-3-yl]ethyl}piperidinium [ACD/IUPAC Name]
1-{2-[1-(2-Cyanophényl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azépin-3-yl]éthyl}pipéridinium [French] [ACD/IUPAC Name]
1-{2-[1-(2-Cyanphenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepin-3-yl]ethyl}piperidinium [German] [ACD/IUPAC Name]
Piperidinium, 1-[2-[1-(2-cyanophenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepin-3-yl]ethyl]- [ACD/Index Name]

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

Density:
Boiling Point: 550.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.6±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.23
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 8.27
ACD/KOC (pH 7.4): 58.69
Polar Surface Area: 58 Å2
Polarizability:
Surface Tension:
Molar Volume:

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