Phenyl-ethylguanidine
TL;DR: Phenyl-ethylguanidine (CAS 746539-58-2) is a chemical compound with molecular formula C9H13N3 and molecular weight 163.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-1-phenylguanidine
Also Known As: phenyl-ethylguanidine, 1-ethyl-1-phenylguanidine, 1-ethyl-1-phenyl-guanidine, Guanidine, N-ethyl-N-phenyl- (9CI)
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H13N3 |
| Molecular Weight | 163.11095 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.11095 Da |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| SMILES | CCN(C1=CC=CC=C1)C(=N)N |
| InChIKey | XMHOJBPBXZZPBP-UHFFFAOYSA-N |
Product Description
Applications: Phenyl-ethylguanidine 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).
Phenyl-ethylguanidine (CAS 746539-58-2) is a pharmaceutical intermediate with the molecular formula C9H13N3 and a molecular weight of 163.11 g/mol. Synonyms include phenyl-ethylguanidine and 1-ethyl-1-phenylguanidine.
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 Phenyl-ethylguanidine
Property Insights of Phenyl-ethylguanidine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl-ethylguanidine. With a topological polar surface area (TPSA) of 53.1 Ų, Phenyl-ethylguanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl-ethylguanidine has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenyl-ethylguanidine?
The CAS number of Phenyl-ethylguanidine is 746539-58-2.
What is the molecular formula of Phenyl-ethylguanidine?
The molecular formula of Phenyl-ethylguanidine is C9H13N3.
What is the molecular weight of Phenyl-ethylguanidine?
The molecular weight of Phenyl-ethylguanidine is 163.11095 g/mol.
What are the applications of Phenyl-ethylguanidine?
Phenyl-ethylguanidine 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 Phenyl-ethylguanidine?
You can request a quote for Phenyl-ethylguanidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenyl-ethylguanidine?
Yes, CoreyChem provides custom synthesis services for Phenyl-ethylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.