Benzoic acid, 3-amino-4-ethyl-


Chemical Name: Benzoic acid, 3-amino-4-ethyl-
CAS Number: 5129-23-7
Product Number: AG00DEC3(AGN-PC-0NJ289)
Synonyms:
MDL No:
Molecular Formula: C9H11NO2
Molecular Weight: 165.1891

Identification/Properties


Properties
BP:
349°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
165.192g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
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:
170
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



3-Amino-4-ethylbenzoic acid, also known as PABA or para-aminobenzoic acid, is a versatile compound widely used in chemical synthesis. One of its key applications is as a building block in the synthesis of various pharmaceuticals, agrochemicals, and dyes. In the realm of pharmaceuticals, 3-Amino-4-ethylbenzoic acid serves as a crucial intermediate in the production of sulfonamide antibiotics. It plays a vital role in the synthesis of these antibiotics by serving as a key component in the formation of the sulfonamide linkage, which is essential for the antibiotic's bioactivity.Furthermore, this compound is utilized in the synthesis of UV-absorbing agents used in sunscreen formulations. Its ability to absorb UV radiation makes it a valuable ingredient in sunscreen products, providing protection against harmful UV rays.Additionally, 3-Amino-4-ethylbenzoic acid finds applications in the production of dyes and pigments. It serves as a precursor in the synthesis of azo dyes, which are widely used in textile and dye industries for coloring purposes. The versatility of this compound in chemical synthesis highlights its importance as a key building block in the creation of various valuable products across different industries.