1-Benzyl-3-carboxypyridinium chloride

Base Information

• Chemical Name: 1-Benzyl-3-carboxypyridinium chloride
• CAS No.: 16214-98-5
• Molecular Formula: C13H12 N O2 . Cl
• Molecular Weight: 249.69288
• European Community (EC) Number: 240-341-4
• NSC Number: 139652
• DSSTox Substance ID: DTXSID30884875
• Mol file: 16214-98-5.mol

Synonyms:1-Benzyl-3-carboxypyridinium chloride;16214-98-5;Nicotinic acid-benzyl chloride quat;N-Benzyl-3-carboxypyridinium chloride;Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride;3-Carboxy-1-benzylpyridinium chloride;N(1)-Benzyl-3-carboxylpyridinium chloride;1-benzylpyridin-1-ium-3-carboxylic acid;chloride;EINECS 240-341-4;N-Benzyl-3-carboxypyridinum chloride;NSC 139652;1-Benzyl-3-carboxypyridin-1-ium chloride;Pyridinium, 1-benzyl-3-carboxy-, chloride;Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride (1:1);C13H12NO2.Cl;SCHEMBL2805432;C13-H12-N-O2.Cl;DTXSID30884875;NSC139652;NSC-139652

Chemical Property of 1-Benzyl-3-carboxypyridinium chloride

Chemical Property:

• PSA: 41.18000
• LogP: -1.27540
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.0556563
• Heavy Atom Count: 17
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

1-Benzyl-3-carboxypyridin-1-iumchloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)O.[Cl-]

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