Benzylethanolamine
TL;DR: Benzylethanolamine (CAS 104-63-2) is a chemical compound with molecular formula C9H13NO and molecular weight 151.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzylamino)ethanol
Also Known As: N-Benzylethanolamine, 2-(Benzylamino)ethanol, 2-Benzylaminoethanol, Benzylaminoethanol, Benzylethanolamine
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H13NO |
| Molecular Weight | 151.09972 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 151.09972 Da |
| Heavy Atoms | 11 |
| Complexity | 89.0 |
| Vapor Pressure | 0.000372 [mmHg] |
| SMILES | C1=CC=C(C=C1)CNCCO |
| InChIKey | XNIOWJUQPMKCIJ-UHFFFAOYSA-N |
Product Description
Applications: Benzylethanolamine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzylethanolamine (CAS 104-63-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Benzylethanolamine is a heterocyclic building block identified by CAS number 104-63-2 and the molecular formula C9H13NO and a molecular weight of 151.1 g/mol. It is also known as N-Benzylethanolamine and 2-(Benzylamino)ethanol.
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 Benzylethanolamine
Property Insights of Benzylethanolamine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylethanolamine. With a topological polar surface area (TPSA) of 32.3 Ų, Benzylethanolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylethanolamine 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 Benzylethanolamine?
The CAS number of Benzylethanolamine is 104-63-2.
What is the molecular formula of Benzylethanolamine?
The molecular formula of Benzylethanolamine is C9H13NO.
What is the molecular weight of Benzylethanolamine?
The molecular weight of Benzylethanolamine is 151.09972 g/mol.
What are the applications of Benzylethanolamine?
Benzylethanolamine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzylethanolamine (CAS 104-63-2)...
Where can I buy Benzylethanolamine?
You can request a quote for Benzylethanolamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzylethanolamine?
Yes, CoreyChem provides custom synthesis services for Benzylethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.