Butylethanolamine
TL;DR: Butylethanolamine (CAS 111-75-1) is a chemical compound with molecular formula C6H15NO and molecular weight 117.115364 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(butylamino)ethanol
Also Known As: 2-(Butylamino)ethanol, 2-Butylaminoethanol, N-Butylethanolamine, Butylethanolamine, n-Butylaminoethanol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H15NO |
| Molecular Weight | 117.115364 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 117.115364 Da |
| Heavy Atoms | 8 |
| Complexity | 39.0 |
| SMILES | CCCCNCCO |
| InChIKey | LJDSTRZHPWMDPG-UHFFFAOYSA-N |
Product Description
Applications: Butylethanolamine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butylethanolamine (CAS 111-75-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Butylethanolamine is a heterocyclic building block identified by CAS number 111-75-1 and the molecular formula C6H15NO and a molecular weight of 117.12 g/mol. It is also known as 2-(Butylamino)ethanol and 2-Butylaminoethanol.
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 Butylethanolamine
Property Insights of Butylethanolamine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylethanolamine. With a topological polar surface area (TPSA) of 32.3 Ų, Butylethanolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylethanolamine has 2 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 Butylethanolamine?
The CAS number of Butylethanolamine is 111-75-1.
What is the molecular formula of Butylethanolamine?
The molecular formula of Butylethanolamine is C6H15NO.
What is the molecular weight of Butylethanolamine?
The molecular weight of Butylethanolamine is 117.115364 g/mol.
What are the applications of Butylethanolamine?
Butylethanolamine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy Butylethanolamine?
You can request a quote for Butylethanolamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butylethanolamine?
Yes, CoreyChem provides custom synthesis services for Butylethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.