Benzoic acid, 3-(aminomethyl)-, methyl ester


Chemical Name: Benzoic acid, 3-(aminomethyl)-, methyl ester
CAS Number: 93071-65-9
Product Number: AG00361U(AGN-PC-0KL753)
Synonyms:
MDL No:
Molecular Formula: C9H11NO2
Molecular Weight: 165.1891

Identification/Properties


Properties
MP:
37-39 °C
BP:
279.8 °C at 760 mmHg
Storage:
2-8℃;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
165.192g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
165.079g/mol
Monoisotopic Mass:
165.079g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
159
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-(Aminomethyl)benzoic acid methyl ester, commonly known as $name$, serves as a versatile intermediate in chemical synthesis. Its unique structure, featuring both an amino group and a methoxy group attached to a benzene ring, enables it to be employed in various synthetic pathways to produce valuable compounds.One prominent application of 3-(Aminomethyl)benzoic acid methyl ester is in the pharmaceutical industry, where it is utilized as a building block for the synthesis of biologically active molecules. By selectively modifying the amino or methoxy groups, chemists can introduce specific functionalities that are crucial for enhancing the efficacy and selectivity of drug molecules.Furthermore, this compound can also be utilized in the development of organic dyes and pigments. The presence of both electron-donating and electron-withdrawing groups on the benzene ring allows for the fine-tuning of the chromophore's properties, leading to the generation of pigments with tailored colors and stability.In addition, 3-(Aminomethyl)benzoic acid methyl ester finds applications in material science, particularly in the synthesis of polymers and materials with desired properties. By incorporating this intermediate into polymerization reactions, researchers can introduce controlled branching or functional groups into the polymer chain, thereby influencing the material's mechanical, thermal, or optical characteristics.