ChemSpider 2D Image | 2-[4-(2,3,4-Trimethoxybenzyl)-1-piperazinyl]ethyl nicotinate | C22H29N3O5

2-[4-(2,3,4-Trimethoxybenzyl)-1-piperazinyl]ethyl nicotinate

  • Molecular FormulaC22H29N3O5
  • Average mass415.483 Da
  • Monoisotopic mass415.210724 Da
  • ChemSpider ID115007142

More details:

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

2-[4-(2,3,4-Trimethoxybenzyl)-1-piperazinyl]ethyl nicotinate [ACD/IUPAC Name]
2-[4-(2,3,4-Trimethoxybenzyl)-1-piperazinyl]ethyl-nicotinat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]ethyl ester [ACD/Index Name]
Nicotinate de 2-[4-(2,3,4-triméthoxybenzyl)-1-pipérazinyl]éthyle [French] [ACD/IUPAC Name]
2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl pyridine-3-carboxylate
2254741-41-6 [RN]
Ninerafaxstat

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

Density: 1.2±0.1 g/cm3
Boiling Point: 535.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.9±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 23.56
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.36
ACD/KOC (pH 7.4): 204.43
Polar Surface Area: 73 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 352.0±3.0 cm3

Click to predict properties on the Chemicalize site


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