Ethyl 2-aminobenzoate
TL;DR: Ethyl 2-aminobenzoate (CAS 87-25-2) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-aminobenzoate
Also Known As: ETHYL ANTHRANILATE, Ethyl 2-aminobenzoate, Ethyl o-aminobenzoate, 2-Carboethoxyaniline, Ethylanthranilate
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.07898 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.07898 Da |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
| Melting Point | 55 °F (NTP, 1992) |
| Boiling Point | 514 °F at 760 mmHg (NTP, 1992) |
| Density | 1.117 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.00232 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.5646 @ 20 °C/D; MAX ABSORPTION (ALCOHOL): 225 NM( LOG E= 4.3); 250 NM (LOG E= 3.85); 338 NM (LOG E= 3.7) |
| Solubility | Insoluble (NTP, 1992) |
| SMILES | CCOC(=O)C1=CC=CC=C1N |
| InChIKey | TWLLPUMZVVGILS-UHFFFAOYSA-N |
Product Description
Applications: Ethyl 2-aminobenzoate 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Ethyl 2-aminobenzoate (CAS 87-25-2) has the molecular formula C9H11NO2 and a molecular weight of 165.08 g/mol. Reported properties include a density of 1.117 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: Insoluble (NTP, 1992). Synonyms include ETHYL ANTHRANILATE and Ethyl 2-aminobenzoate.
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 Ethyl 2-aminobenzoate
Property Insights of Ethyl 2-aminobenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-aminobenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 2-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-aminobenzoate has 1 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 Ethyl 2-aminobenzoate?
The CAS number of Ethyl 2-aminobenzoate is 87-25-2.
What is the molecular formula of Ethyl 2-aminobenzoate?
The molecular formula of Ethyl 2-aminobenzoate is C9H11NO2.
What is the molecular weight of Ethyl 2-aminobenzoate?
The molecular weight of Ethyl 2-aminobenzoate is 165.07898 g/mol.
What are the applications of Ethyl 2-aminobenzoate?
Ethyl 2-aminobenzoate 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. Available from CoreyChem as both catalog item and...
Where can I buy Ethyl 2-aminobenzoate?
You can request a quote for Ethyl 2-aminobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-aminobenzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.