6-(4-Methylpiperazin-1-yl)nicotinic acid

Base Information

• Chemical Name: 6-(4-Methylpiperazin-1-yl)nicotinic acid
• CAS No.: 132521-70-1
• Molecular Formula: C11H15N3O2
• Molecular Weight: 221.258
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80566598
• Wikidata: Q82452281
• Mol file: 132521-70-1.mol

Synonyms:6-(4-Methylpiperazin-1-yl)nicotinic acid;132521-70-1;6-(4-Methylpiperazin-1-yl)pyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 6-(4-methyl-1-piperazinyl)-;6-(4-Methylpiperazin-1-yl)nicotinicacid;6-(4-methylpiperazinyl)pyridine-3-carboxylic acid;SCHEMBL1329870;3-Pyridinecarboxylic acid,6-(4-methyl-1-piperazinyl)-;DTXSID80566598;QHMVJHRGUIQPPU-UHFFFAOYSA-N;MFCD07376841;AKOS000127413;TS-00512;6-(4-Methyl-1-piperazinyl)nicotinic acid;6-(4-Methyl-piperazin-1-yl)-nicotinic acid;CS-0151073;C72312;A926194;3-Pyridinecarboxylicacid,6-(4-methyl-1-piperazinyl)-;6-(4-Methyl-1-piperazinyl)-3-pyridinecarboxylic acid

Chemical Property of 6-(4-Methylpiperazin-1-yl)nicotinic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.584
• Boiling Point: 420.197 °C at 760 mmHg
• PKA: 3.02±0.10(Predicted)
• Flash Point: 207.928 °C
• PSA: 56.67000
• Density: 1.239 g/cm³
• LogP: 0.53450
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 221.116426730
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

6-(4-Methylpiperazin-1-yl)nicotinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NC=C(C=C2)C(=O)O