2-(3-methylpiperazin-1-yl)pyridine-3-carboxylic Acid

Base Information

• Chemical Name: 2-(3-methylpiperazin-1-yl)pyridine-3-carboxylic Acid
• CAS No.: 889957-87-3
• Molecular Formula: C11H15 N3 O2
• Molecular Weight: 221.26
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID20378096
• Mol file: 889957-87-3.mol

Synonyms:889957-87-3;2-(3-methylpiperazin-1-yl)pyridine-3-carboxylic Acid;2-(3-METHYL-PIPERAZIN-1-YL)-NICOTINIC ACID;3-Pyridinecarboxylicacid, 2-(3-methyl-1-piperazinyl)-;MFCD06245476;2-(3-Methylpiperazin-1-yl)nicotinic acid;DTXSID20378096;BBL100430;STL554224;AKOS005254235;FT-0717039;2-(3-methyl-piperazin-1-yl)-nicotinic acid, AldrichCPR

Chemical Property of 2-(3-methylpiperazin-1-yl)pyridine-3-carboxylic Acid

Chemical Property:

• Vapor Pressure: 5.28E-08mmHg at 25°C
• Refractive Index: 1.562
• Boiling Point: 425.7°C at 760 mmHg
• PKA: 1.83±0.36(Predicted)
• Flash Point: 211.2°C
• PSA: 65.46000
• Density: 1.205g/cm³
• LogP: 0.97170
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 221.116426730
• Heavy Atom Count: 16
• Complexity: 260

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-(3-methylpiperazin-1-yl)pyridine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1)C2=C(C=CC=N2)C(=O)O