Ethyl acetimidate
TL;DR: Ethyl acetimidate (CAS 1000-84-6) is a chemical compound with molecular formula C4H9NO and molecular weight 87.06841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl ethanimidate
Also Known As: Ethyl acetimidate, ethyl ethanimidate, 1-Ethoxyethanimine, Ethyl ethanimidoate, Ethanimidic acid, ethyl ester
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H9NO |
| Molecular Weight | 87.06841 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 87.06841 Da |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
| SMILES | CCOC(=N)C |
| InChIKey | JMIAPORGEDIDLT-UHFFFAOYSA-N |
Product Description
Applications: Ethyl acetimidate 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 Ethyl acetimidate (CAS 1000-84-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Ethyl acetimidate (CAS 1000-84-6) is a pharmaceutical intermediate with the molecular formula C4H9NO and a molecular weight of 87.07 g/mol. It is also known as Ethyl acetimidate and ethyl ethanimidate.
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 acetimidate
Property Insights of Ethyl acetimidate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl acetimidate. With a topological polar surface area (TPSA) of 33.1 Ų, Ethyl acetimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl acetimidate has 1 hydrogen bond donor(s) and 2 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 acetimidate?
The CAS number of Ethyl acetimidate is 1000-84-6.
What is the molecular formula of Ethyl acetimidate?
The molecular formula of Ethyl acetimidate is C4H9NO.
What is the molecular weight of Ethyl acetimidate?
The molecular weight of Ethyl acetimidate is 87.06841 g/mol.
What are the applications of Ethyl acetimidate?
Ethyl acetimidate 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 Ethyl acetimidate (CAS 1000-84-6)...
Where can I buy Ethyl acetimidate?
You can request a quote for Ethyl acetimidate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl acetimidate?
Yes, CoreyChem provides custom synthesis services for Ethyl acetimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.