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Home Aminos 4-[(4-methylbenzyl)amino]benzoic acid

4-[(4-methylbenzyl)amino]benzoic acid

CAS No.:
64518-48-5
Catalog Number:
AG00EE04
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
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Purity
Availability
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Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00EE04
Chemical Name:
4-[(4-methylbenzyl)amino]benzoic acid
CAS Number:
64518-48-5
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
MDL Number:
MFCD03450495
IUPAC Name:
4-[(4-methylphenyl)methylamino]benzoic acid
InChI:
InChI=1S/C15H15NO2/c1-11-2-4-12(5-3-11)10-16-14-8-6-13(7-9-14)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChI Key:
PSQNWDZFOPXXAN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CNc1ccc(cc1)C(=O)O
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
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