3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid

Base Information

• Chemical Name: 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid
• CAS No.: 13174-37-3
• Molecular Formula: C13H12N2O2
• Molecular Weight: 228.25
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80359063
• Wikidata: Q82140064
• ChEMBL ID: CHEMBL1408595
• Mol file: 13174-37-3.mol

Synonyms:3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid;13174-37-3;3-(pyridin-3-ylmethylamino)benzoic acid;3-((Pyridin-3-ylmethyl)amino)benzoic acid;3-[(pyridin-3-ylmethyl)amino]benzoic acid;3-{[(pyridin-3-yl)methyl]amino}benzoic acid;CBKinase1_010566;CBKinase1_022966;MLS000067725;CHEMBL1408595;SCHEMBL15708831;DTXSID80359063;HMS1619D15;HMS2177D16;STK723690;AKOS000623277;3-((Pyridin-3-ylmethyl)amino)benzoicacid;SMR000125077;CS-0324556;BRD-K28250550-001-01-6;VI8

Chemical Property of 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid

Chemical Property:

• PSA: 62.22000
• LogP: 2.46490
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 228.089877630
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NCC2=CN=CC=C2)C(=O)O