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Home Aminos 2-[(2-pyridinylmethyl)amino]benzoic acid

2-[(2-pyridinylmethyl)amino]benzoic acid

CAS No.:
5691-02-1
Catalog Number:
AG00EDRT
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00EDRT
Chemical Name:
2-[(2-pyridinylmethyl)amino]benzoic acid
CAS Number:
5691-02-1
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD07395223
IUPAC Name:
2-(pyridin-2-ylmethylamino)benzoic acid
InChI:
InChI=1S/C13H12N2O2/c16-13(17)11-6-1-2-7-12(11)15-9-10-5-3-4-8-14-10/h1-8,15H,9H2,(H,16,17)
InChI Key:
NCPRURHPFDPBEE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1NCc1ccccn1
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:
2.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties