Home Aminos 2-[(pyridin-3-ylmethyl)amino]benzoic acid

2-[(pyridin-3-ylmethyl)amino]benzoic acid

CAS No.:
282719-60-2
Catalog Number:
AG01A7TI
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
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Product Description
Catalog Number:
AG01A7TI
Chemical Name:
2-[(pyridin-3-ylmethyl)amino]benzoic acid
CAS Number:
282719-60-2
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD01764307
IUPAC Name:
2-(pyridin-3-ylmethylamino)benzoic acid
InChI:
InChI=1S/C13H12N2O2/c16-13(17)11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10/h1-8,15H,9H2,(H,16,17)
InChI Key:
QSJNZGFTQBXPNM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1NCc1cccnc1
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties