Benzoic acid, 2-amino-3,5-dimethyl-


Chemical Name: Benzoic acid, 2-amino-3,5-dimethyl-
CAS Number: 14438-32-5
Product Number: AG001JFB(AGN-PC-0JNVNX)
Synonyms:
MDL No: MFCD00017099
Molecular Formula: C9H11NO2
Molecular Weight: 165.1891

Identification/Properties


Properties
MP:
189-194 °C
BP:
322.2 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5200 (estimate)
Computed Properties
Molecular Weight:
165.192g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
165.079g/mol
Monoisotopic Mass:
165.079g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
181
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Amino-3,5-dimethylbenzoic acid, also known as $name$, is a versatile compound widely utilized in chemical synthesis for its unique properties. This compound serves as a crucial building block in the development of various pharmaceuticals, agrochemicals, and materials due to its functional group compatibility and reactivity.One prominent application of 2-Amino-3,5-dimethylbenzoic acid in chemical synthesis is its role as a key intermediate in the preparation of heterocyclic compounds. By reacting with different reagents and functional groups, this compound can undergo various transformations to form complex structures commonly found in bioactive molecules and ligands.Furthermore, the carboxylic acid moiety present in 2-Amino-3,5-dimethylbenzoic acid offers functionalization opportunities, enabling the introduction of additional substituents or coupling with other molecules to create novel compounds with enhanced properties. This versatility makes it a valuable component in the synthesis of drug candidates and specialty chemicals.Overall, the use of 2-Amino-3,5-dimethylbenzoic acid in chemical synthesis demonstrates its significance as a valuable building block for the creation of diverse compounds with potential applications in pharmaceuticals, agriculture, and materials science.