2-Azepan-1-YL-nicotinic acid

Base Information

• Chemical Name: 2-Azepan-1-YL-nicotinic acid
• CAS No.: 571913-22-9
• Molecular Formula: C12H16N2O2
• Molecular Weight: 220.27
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70362940
• Wikidata: Q82146465
• Mol file: 571913-22-9.mol

Synonyms:571913-22-9;2-AZEPAN-1-YL-NICOTINIC ACID;2-(azepan-1-yl)nicotinic acid;2-(1-Azepanyl)nicotinic acid;2-(azepan-1-yl)pyridine-3-carboxylic Acid;2-(azepan-1-yl)nicotinicacid;DTXSID70362940;WXA91322;2-AZEPAN-1-YL-NICOTINICACID;MFCD03822745;AKOS000214780;SB37726;CS-0340456;FT-0681445;2-(Hexahydro-1H-azepin-1-yl)-3-pyridinecarboxylic acid

Chemical Property of 2-Azepan-1-YL-nicotinic acid

Chemical Property:

• PSA: 53.43000
• LogP: 2.22520
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 220.121177757
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

98%min ^*data from raw suppliers

2-Azepan-1-yl-nicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)C2=C(C=CC=N2)C(=O)O