Chemical Identity and Structure

3-Amino-N-butylbenzamide (CAS to be confirmed; SKU A186005) belongs to the benzamide class of organic compounds. Its structure consists of a meta-substituted benzene ring carrying a free primary amine group (–NH₂) at the 3-position and an amide linkage (–CO–NH–) to an n-butyl chain at the carboxamide nitrogen.

The coexistence of a nucleophilic aromatic amine and an amide carbonyl within the same molecule creates a bifunctional scaffold. The –NH₂ group is available for acylation, diazotization, reductive amination, or coupling reactions, while the amide nitrogen can participate in hydrogen-bonding interactions relevant to target binding in biological systems.

The estimated molecular weight is 192.26 g/mol (C₁₁H₁₆N₂O). Researchers should verify the exact CAS number, purity, and lot-specific data against the Certificate of Analysis (CoA) supplied with each batch from Aladdin Scientific.

Solubility and Formulation Guidance

As an aromatic amine-containing benzamide, 3-Amino-N-butylbenzamide is expected to show limited solubility in water but improved solubility in polar organic solvents such as dimethyl sulfoxide (DMSO), dimethylformamide (DMF), ethanol, and methanol. The free amine group may allow protonation under acidic aqueous conditions, which can enhance aqueous solubility as the corresponding salt form.

For stock solution preparation, dissolve the compound in DMSO first to achieve a concentrated stock (e.g., 10–100 mM), then dilute into the aqueous buffer of choice immediately before use to minimize precipitation. When adding to cell culture media or biological assays, ensure the final DMSO concentration does not exceed 0.1–0.5% v/v to avoid solvent-related cytotoxicity.

Note: Actual solubility values should be experimentally confirmed, as batch-to-batch variation and temperature can affect dissolution. Consult the product CoA or contact Aladdin Scientific technical support for specific solubility data.

Research Applications and Synthetic Utility

3-Amino-N-butylbenzamide serves primarily as a synthetic intermediate and chemical building block in medicinal chemistry programs. Its bifunctional character makes it suitable for the following applications:

• Drug discovery intermediates: The free –NH₂ group can be elaborated into ureas, sulfonamides, amides, or heterocyclic rings, enabling the rapid assembly of compound libraries for biological screening.
• PARP inhibitor scaffold exploration: Benzamide motifs bearing amine substituents are well-documented pharmacophoric elements in the design of poly(ADP-ribose) polymerase (PARP) inhibitors; however, specific activity data for this compound should be experimentally verified.
• Coupling chemistry: The aromatic amine can undergo diazotization followed by azo coupling, Sandmeyer reactions, or palladium-catalyzed cross-coupling after conversion to an aryl halide, expanding structural diversity.
• Fragment-based drug design (FBDD): Low-molecular-weight bifunctional fragments such as this compound are valuable entry points in FBDD campaigns.

Researchers should conduct independent validation of biological activity and suitability for their specific application prior to large-scale use.

Safe Handling, Storage, and Disposal

General precautions: Aromatic amines as a chemical class may present potential health hazards including skin sensitization and irritation. Handle 3-Amino-N-butylbenzamide in a well-ventilated fume hood, wearing appropriate personal protective equipment (PPE): nitrile gloves, safety goggles, and a lab coat. Avoid inhalation of dust or vapors.

Storage: Store the compound in a tightly sealed container in a cool (15–25 °C), dry location, protected from light, heat, and moisture. Keep away from strong oxidizers, acids, and bases. Verify specific storage requirements on the product label and CoA, as conditions may vary by lot.

Disposal: Dispose of all waste, including residues, contaminated materials, and spent solvents, in accordance with local, regional, and national regulations for chemical waste. Do not pour down the drain. Consult the Safety Data Sheet (SDS) available from Aladdin Scientific for detailed hazard classification, first-aid measures, and emergency procedures before use.

Review flag: Full GHS hazard classification and specific H/P statements must be taken from the official SDS for A186005 and are not reproduced here. Always consult the current SDS before use.

Specification, Purity, and Quality Assurance

Aladdin Scientific supplies 3-Amino-N-butylbenzamide (A186005) as a research-grade reagent. Purity and analytical data are provided on a lot-specific Certificate of Analysis (CoA), which typically includes results from techniques such as HPLC, NMR, or mass spectrometry to confirm identity and purity.

When ordering, researchers and procurement staff should note the available pack sizes and confirm that the stated purity grade meets the requirements of the intended application. For high-sensitivity assays or reference standard use, additional in-house characterization may be advisable.

For current pricing, availability, and detailed specifications, visit the Aladdin Scientific product page for SKU A186005 or contact customer service. Lot-specific CoAs can be requested at the time of order or downloaded from the Aladdin Scientific website using the lot number printed on the product label.