1-(4-Methoxybenzyl)guanidine
TL;DR: 1-(4-Methoxybenzyl)guanidine (CAS 46234-16-6) is a chemical compound with molecular formula C9H13N3O and molecular weight 179.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-methoxyphenyl)methyl]guanidine
Also Known As: 1-(4-methoxybenzyl)guanidine, 4-methoxybenzylguanidine, N- -GUANIDINE, 2-[(4-methoxyphenyl)methyl]guanidine, N-(4-methoxybenzyl)guanidine
Technical Specifications
| Molecular Formula | C9H13N3O |
| Molecular Weight | 179.10587 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 73.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.10587 Da |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
| SMILES | COC1=CC=C(C=C1)CN=C(N)N |
| InChIKey | GSNNHGKCGLQEGV-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Methoxybenzyl)guanidine
Property Insights of 1-(4-Methoxybenzyl)guanidine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxybenzyl)guanidine. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methoxybenzyl)guanidine. Following Lipinski's Rule of Five, 1-(4-Methoxybenzyl)guanidine 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 1-(4-Methoxybenzyl)guanidine?
The CAS number of 1-(4-Methoxybenzyl)guanidine is 46234-16-6.
What is the molecular formula of 1-(4-Methoxybenzyl)guanidine?
The molecular formula of 1-(4-Methoxybenzyl)guanidine is C9H13N3O.
What is the molecular weight of 1-(4-Methoxybenzyl)guanidine?
The molecular weight of 1-(4-Methoxybenzyl)guanidine is 179.10587 g/mol.
Where can I buy 1-(4-Methoxybenzyl)guanidine?
You can request a quote for 1-(4-Methoxybenzyl)guanidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Methoxybenzyl)guanidine?
Yes, CoreyChem provides custom synthesis services for 1-(4-Methoxybenzyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.