2-(4-Methylpiperazin-1-yl)-2-oxoacetic acid

Base Information

• Chemical Name: 2-(4-Methylpiperazin-1-yl)-2-oxoacetic acid
• CAS No.: 717904-36-4
• Molecular Formula: C7H12N2O3
• Molecular Weight: 172.18
• Hs Code.: 2933599090
• European Community (EC) Number: 673-882-3
• DSSTox Substance ID: DTXSID90366001
• Mol file: 717904-36-4.mol

Synonyms:717904-36-4;2-(4-methylpiperazin-1-yl)-2-oxoacetic acid;(4-Methyl-piperazin-1-yl)-oxo-acetic acid;(4-methylpiperazin-1-yl)-oxo-acetic acid;2-(4-methyl-piperazin-1-yl)-2-oxo-acetic acid;MFCD04116808;2-(4-Methyl-piperazin-1-yl)-2-oxo-aceticacid;2-(4-methylpiperazin-1-yl)-2-oxo-acetic Acid;(4-methylpiperazin-1-yl)(oxo)acetic acid;SCHEMBL2956307;DTXSID90366001;QRHXDMKVURFNSW-UHFFFAOYSA-N;AKOS003590999;4-Methyl-a-oxo-1-piperazineacetic acid;2-(4-methylpiperazin-1-yl)-2-oxoaceticacid;CS-0455207;FT-0644853;2-(4-methyl-1-piperazinyl)-2-oxoacetic acid;2-(4-methyl piperazin-l-yl)-2-oxo acetic acid;A837328;F1929-0752;2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethanoic acid;2-(4-methyl-piperazin-1-yl)-2-oxo-acetic acid, AldrichCPR;[[[1-[(6-Amino-9H-purin-9-yl)methyl]cyclopropyl]oxy]methyl]-phosphonicacid

Chemical Property of 2-(4-Methylpiperazin-1-yl)-2-oxoacetic acid

Chemical Property:

• Vapor Pressure: 0.000245mmHg at 25°C
• Melting Point: 195-196 °C
• Refractive Index: 1.522
• Boiling Point: 301.5 °C at 760 mmHg
• PKA: 2.05±0.54(Predicted)
• Flash Point: 136.1 °C
• PSA: 60.85000
• Density: 1.28 g/cm³
• LogP: -1.27920
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.08479225
• Heavy Atom Count: 12
• Complexity: 197

Purity/Quality:

98%min ^*data from raw suppliers

(4-methylpiperazin-1-yl)-oxo-aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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