Butyl 4-aminobenzoate
TL;DR: Butyl 4-aminobenzoate (CAS 94-25-7) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 4-aminobenzoate
Also Known As: butamben, Butyl 4-aminobenzoate, Butesin, Butoform, Butylcaine
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.11028 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.11028 Da |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
| Melting Point | 136 °F (NTP, 1992) |
| Boiling Point | 343 to 345 °F at 8 mmHg (NTP, 1992) |
| Vapor Pressure | 0.000299 [mmHg] |
| Solubility | Insoluble (NTP, 1992) |
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N |
| InChIKey | IUWVALYLNVXWKX-UHFFFAOYSA-N |
Product Description
Applications: Butyl 4-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, Butyl 4-aminobenzoate (CAS 94-25-7) has the molecular formula C11H15NO2 and a molecular weight of 193.11 g/mol. Reported properties include a solubility: Insoluble (NTP, 1992). Synonyms include butamben and Butyl 4-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 Butyl 4-aminobenzoate
Property Insights of Butyl 4-aminobenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-aminobenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Butyl 4-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 4-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 Butyl 4-aminobenzoate?
The CAS number of Butyl 4-aminobenzoate is 94-25-7.
What is the molecular formula of Butyl 4-aminobenzoate?
The molecular formula of Butyl 4-aminobenzoate is C11H15NO2.
What is the molecular weight of Butyl 4-aminobenzoate?
The molecular weight of Butyl 4-aminobenzoate is 193.11028 g/mol.
What are the applications of Butyl 4-aminobenzoate?
Butyl 4-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 Butyl 4-aminobenzoate?
You can request a quote for Butyl 4-aminobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl 4-aminobenzoate?
Yes, CoreyChem provides custom synthesis services for Butyl 4-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.