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Home Aminos 3-Amino-4-((pyridin-3-ylmethyl)amino)benzoic acid

3-Amino-4-((pyridin-3-ylmethyl)amino)benzoic acid

CAS No.:
436088-89-0
Catalog Number:
AG00D98D
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00D98D
Chemical Name:
3-Amino-4-((pyridin-3-ylmethyl)amino)benzoic acid
CAS Number:
436088-89-0
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
MDL Number:
MFCD03274476
IUPAC Name:
3-amino-4-(pyridin-3-ylmethylamino)benzoic acid
InChI:
InChI=1S/C13H13N3O2/c14-11-6-10(13(17)18)3-4-12(11)16-8-9-2-1-5-15-7-9/h1-7,16H,8,14H2,(H,17,18)
InChI Key:
MHWWFBSFFVDUPF-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1NCc1cccnc1)C(=O)O
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Benzoic acid and pyridine derivatives as inhibitors of Trypanosoma cruzi trans-sialidase. Bioorganic & medicinal chemistry 20070301
Properties