Home Aminos 3-[(4,6-Dimethylpyrimidin-2-yl)amino]benzoic acid

3-[(4,6-Dimethylpyrimidin-2-yl)amino]benzoic acid

CAS No.:
81261-77-0
Catalog Number:
AG008KSI
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$74
- +
1g
95%
In Stock USA
United States
$124
- +
Product Description
Catalog Number:
AG008KSI
Chemical Name:
3-[(4,6-Dimethylpyrimidin-2-yl)amino]benzoic acid
CAS Number:
81261-77-0
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
MDL Number:
MFCD00203262
IUPAC Name:
3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid
InChI:
InChI=1S/C13H13N3O2/c1-8-6-9(2)15-13(14-8)16-11-5-3-4-10(7-11)12(17)18/h3-7H,1-2H3,(H,17,18)(H,14,15,16)
InChI Key:
PYBQOOXFPKGJPP-UHFFFAOYSA-N
SMILES:
Cc1cc(C)nc(n1)Nc1cccc(c1)C(=O)O
Properties
Complexity:
288  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties