3-Aminobenzoic Acid
TL;DR: 3-Aminobenzoic Acid (CAS 99-05-8) is a chemical compound with molecular formula C7H7NO2 and molecular weight 137.04768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-aminobenzoic acid
Also Known As: 3-AMINOBENZOIC ACID, m-Aminobenzoic acid, m-Carboxyaniline, 3-Carboxyaniline, gabaculine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.04768 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.04768 Da |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
| Melting Point | 173 °C |
| Vapor Pressure | 0.000278 [mmHg] |
| Solubility | 5.9 mg/mL at 15 °C |
| SMILES | C1=CC(=CC(=C1)N)C(=O)O |
| InChIKey | XFDUHJPVQKIXHO-UHFFFAOYSA-N |
Product Description
Applications: 3-Aminobenzoic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Aminobenzoic Acid (CAS 99-05-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Aminobenzoic Acid (CAS 99-05-8) is a pharmaceutical intermediate with the molecular formula C7H7NO2 and a molecular weight of 137.05 g/mol. Key physical properties include a solubility: 5.9 mg/mL at 15 °C. It is also known as 3-AMINOBENZOIC ACID and m-Aminobenzoic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Aminobenzoic Acid
Property Insights of 3-Aminobenzoic Acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Aminobenzoic Acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Aminobenzoic Acid. Following Lipinski's Rule of Five, 3-Aminobenzoic Acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Aminobenzoic Acid?
The CAS number of 3-Aminobenzoic Acid is 99-05-8.
What is the molecular formula of 3-Aminobenzoic Acid?
The molecular formula of 3-Aminobenzoic Acid is C7H7NO2.
What is the molecular weight of 3-Aminobenzoic Acid?
The molecular weight of 3-Aminobenzoic Acid is 137.04768 g/mol.
What are the applications of 3-Aminobenzoic Acid?
3-Aminobenzoic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Aminobenzoic Acid (CAS 99-05-8)...
Where can I buy 3-Aminobenzoic Acid?
You can request a quote for 3-Aminobenzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Aminobenzoic Acid?
Yes, CoreyChem provides custom synthesis services for 3-Aminobenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.