Doxylamine
TL;DR: Doxylamine (CAS 469-21-6) is a chemical compound with molecular formula C17H22N2O and molecular weight 270.17322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
Also Known As: doxylamine, Dossilamina, Doxylaminum, Doxilminio, doxilamina
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H22N2O |
| Molecular Weight | 270.17322 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 25.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.17322 Da |
| Heavy Atoms | 20 |
| Complexity | 276.0 |
| Melting Point | < 25 °C |
| Boiling Point | 279 to 286 °F at 0.5 mmHg (NTP, 1992) |
| Vapor Pressure | Slightly volatile |
| Refractive Index | INDEX OF REFRACTION: CALCULATED 1.525 (ALPHA), 1.563 (BETA), 1.598 (GAMMA) |
| Solubility | 1 |
| SMILES | CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C |
| InChIKey | HCFDWZZGGLSKEP-UHFFFAOYSA-N |
Product Description
Applications: Doxylamine 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, Doxylamine (CAS 469-21-6) has the molecular formula C17H22N2O and a molecular weight of 270.17 g/mol. Reported properties include a solubility: 1. Synonyms include doxylamine and Dossilamina.
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 Doxylamine
Property Insights of Doxylamine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Doxylamine. With a topological polar surface area (TPSA) of 25.4 Ų, Doxylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Doxylamine has 0 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 Doxylamine?
The CAS number of Doxylamine is 469-21-6.
What is the molecular formula of Doxylamine?
The molecular formula of Doxylamine is C17H22N2O.
What is the molecular weight of Doxylamine?
The molecular weight of Doxylamine is 270.17322 g/mol.
What are the applications of Doxylamine?
Doxylamine 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 Doxylamine?
You can request a quote for Doxylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Doxylamine?
Yes, CoreyChem provides custom synthesis services for Doxylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.