Diethylethanolamine
TL;DR: Diethylethanolamine (CAS 100-37-8) 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-(diethylamino)ethanol
Also Known As: 2-(Diethylamino)ethanol, 2-Diethylaminoethanol, DIETHYLAMINOETHANOL, N,N-Diethylethanolamine, Diethylethanolamine
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 | 0.3 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 117.115364 Da |
| Heavy Atoms | 8 |
| Complexity | 43.0 |
| Melting Point | -94 °F (NTP, 1992) |
| Boiling Point | 325 °F at 760 mmHg (NTP, 1992) |
| Density | 0.8921 at 77 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 140 °F (NTP, 1992) |
| Vapor Pressure | 21 mmHg at 68 °F (NTP, 1992) |
| Refractive Index | SADTLER REFERENCE NUMBER: 143 (IR, PRISM); INDEX OF REFRACTION: 1.4412 @ 20 °C/D |
| Solubility | Very soluble (NTP, 1992) |
| SMILES | CCN(CC)CCO |
| InChIKey | BFSVOASYOCHEOV-UHFFFAOYSA-N |
Product Description
Applications: Diethylethanolamine 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 Diethylethanolamine (CAS 100-37-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Diethylethanolamine is a pharmaceutical intermediate identified by CAS number 100-37-8 and the molecular formula C6H15NO and a molecular weight of 117.12 g/mol. Physically, the compound has a density of 0.8921 at 77 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Very soluble (NTP, 1992). It is also known as 2-(Diethylamino)ethanol and 2-Diethylaminoethanol.
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 Diethylethanolamine
Property Insights of Diethylethanolamine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethylethanolamine. With a topological polar surface area (TPSA) of 23.5 Ų, Diethylethanolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethylethanolamine 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 Diethylethanolamine?
The CAS number of Diethylethanolamine is 100-37-8.
What is the molecular formula of Diethylethanolamine?
The molecular formula of Diethylethanolamine is C6H15NO.
What is the molecular weight of Diethylethanolamine?
The molecular weight of Diethylethanolamine is 117.115364 g/mol.
What are the applications of Diethylethanolamine?
Diethylethanolamine 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 Diethylethanolamine (CAS 100-37-8)...
Where can I buy Diethylethanolamine?
You can request a quote for Diethylethanolamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethylethanolamine?
Yes, CoreyChem provides custom synthesis services for Diethylethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.