Home Aminos Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-

Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-

CAS No.:
824431-10-9
Catalog Number:
AG008JLA
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$214
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Product Description
Catalog Number:
AG008JLA
Chemical Name:
Benzoic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-
CAS Number:
824431-10-9
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD06661538
IUPAC Name:
4-[(3,5-dimethylpyrazol-1-yl)methylamino]benzoic acid
InChI:
InChI=1S/C13H15N3O2/c1-9-7-10(2)16(15-9)8-14-12-5-3-11(4-6-12)13(17)18/h3-7,14H,8H2,1-2H3,(H,17,18)
InChI Key:
CNKABRURYDJZAR-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)CNc1ccc(cc1)C(=O)O
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties