Homarylamine
TL;DR: Homarylamine (CAS 451-77-4) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzodioxol-5-yl)-N-methylethanamine
Also Known As: Homarylamine, Homarilamina, Homarylaminum, Mdmpea, null
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.09464 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 Da |
| Heavy Atoms | 13 |
| Complexity | 163.0 |
| SMILES | CNCCC1=CC2=C(C=C1)OCO2 |
| InChIKey | OPJOMVMFYOUDPK-UHFFFAOYSA-N |
Product Description
Applications: Homarylamine 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Homarylamine is a heterocyclic building block identified by CAS number 451-77-4 and the molecular formula C10H13NO2 and a molecular weight of 179.09 g/mol. Synonyms include Homarylamine and Homarilamina.
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 Homarylamine
Property Insights of Homarylamine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Homarylamine. With a topological polar surface area (TPSA) of 30.5 Ų, Homarylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Homarylamine has 1 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 Homarylamine?
The CAS number of Homarylamine is 451-77-4.
What is the molecular formula of Homarylamine?
The molecular formula of Homarylamine is C10H13NO2.
What is the molecular weight of Homarylamine?
The molecular weight of Homarylamine is 179.09464 g/mol.
What are the applications of Homarylamine?
Homarylamine 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. Available from CoreyChem as both catalog item and...
Where can I buy Homarylamine?
You can request a quote for Homarylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Homarylamine?
Yes, CoreyChem provides custom synthesis services for Homarylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.