Benzoic acid, 4-amino-2,5-dimethyl-, methyl ester


Chemical Name: Benzoic acid, 4-amino-2,5-dimethyl-, methyl ester
CAS Number: 21339-74-2
Product Number: AG003577(AGN-PC-0JO47O)
Synonyms:
MDL No:
Molecular Formula: C10H13NO2
Molecular Weight: 179.2157

Identification/Properties


Properties
BP:
319.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
179.219g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
179.095g/mol
Monoisotopic Mass:
179.095g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
193
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


NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 4-amino-2,5-dimethylbenzoate is a crucial compound in chemical synthesis, particularly in the field of pharmaceutical research and development. This versatile chemical is commonly used as a key intermediate in the synthesis of various pharmaceuticals and organic molecules. Its unique structure and properties make it an essential building block for creating complex compounds with potent biological activities. In chemical synthesis, Methyl 4-amino-2,5-dimethylbenzoate serves as a valuable starting material for the preparation of diverse drug candidates, agrochemicals, and specialty chemicals. Its presence in the synthetic toolbox enables chemists to efficiently access novel compounds with enhanced pharmacological profiles and tailored functional properties. By incorporating Methyl 4-amino-2,5-dimethylbenzoate into synthetic schemes, researchers can streamline the synthesis of valuable molecules and accelerate the discovery of new therapeutic agents.