6-{4-[(tert-Butoxy)carbonyl]-3-methylpiperazin-1-yl}pyridine-3-carboxylic acid

Base Information

• Chemical Name: 6-{4-[(tert-Butoxy)carbonyl]-3-methylpiperazin-1-yl}pyridine-3-carboxylic acid
• CAS No.: 904817-70-5
• Molecular Formula: C16H23N3O4
• Molecular Weight: 321.37
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID70587636
• Mol file: 904817-70-5.mol

Synonyms:904817-70-5;6-{4-[(tert-Butoxy)carbonyl]-3-methylpiperazin-1-yl}pyridine-3-carboxylic acid;4-(5-CARBOXY-(PYRIDIN-2-YL))-2-METHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;MFCD06660379;4-(5-Carboxy-pyridin-2-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester;6-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;6-[4-(tert-Butoxycarbonyl)-3-methylpiperazin-1-yl]pyridine-3-carboxylic acid;SCHEMBL16026429;DTXSID70587636;AKOS005257397;MCULE-4601368935;DB-113835;4-(5-Carboxypyridin-2-yl)-2-methylpiperazine-1-carboxylic acid tert-butyl ester

Chemical Property of 6-{4-[(tert-Butoxy)carbonyl]-3-methylpiperazin-1-yl}pyridine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 8.68E-11mmHg at 25°C
• Boiling Point: 499.3°C at 760 mmHg
• Flash Point: 255.8°C
• PSA: 82.97000
• Density: 1.209g/cm³
• LogP: 2.22830
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 321.16885622
• Heavy Atom Count: 23
• Complexity: 449

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1C(=O)OC(C)(C)C)C2=NC=C(C=C2)C(=O)O