2-{4-[(tert-Butoxy)carbonyl]-3-methylpiperazin-1-yl}pyridine-3-carboxylic acid

Base Information

• Chemical Name: 2-{4-[(tert-Butoxy)carbonyl]-3-methylpiperazin-1-yl}pyridine-3-carboxylic acid
• CAS No.: 904817-78-3
• Molecular Formula: C16H23 N3 O4
• Molecular Weight: 321.37
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90378129
• Mol file: 904817-78-3.mol

Synonyms:904817-78-3;2-{4-[(tert-Butoxy)carbonyl]-3-methylpiperazin-1-yl}pyridine-3-carboxylic acid;2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic Acid;MFCD06245573;4-(3-CARBOXY-(PYRIDIN-2-YL))-2-METHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;4-(3-Carboxy-pyridin-2-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester;DTXSID90378129;AKOS005257248;2-[4-(tert-Butoxycarbonyl)-3-methyl-1-piperazinyl]nicotinic acid, AldrichCPR;2-[4-(tert-Butoxycarbonyl)-3-methylpiperazin-1-yl]pyridine-3-carboxylic acid;4-(3-carboxy-(pyridin-2-yl))-2-methylpiperazine-1-carboxylic acid tert-butyl ester;4-(3-Carboxypyridin-2-yl)-2-methylpiperazine-1-carboxylic acid tert-butyl ester

Chemical Property of 2-{4-[(tert-Butoxy)carbonyl]-3-methylpiperazin-1-yl}pyridine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.43E-10mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 481.5°Cat760mmHg
• Flash Point: 245°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=C(C=CC=N2)C(=O)O

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