1-(4-Trifluoromethylbenzyl)guanidine
TL;DR: 1-(4-Trifluoromethylbenzyl)guanidine (CAS 14629-39-1) is a chemical compound with molecular formula C9H10F3N3 and molecular weight 217.08269 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
Also Known As: 1-(4-Trifluoromethylbenzyl)guanidine, 1-(4-(Trifluoromethyl)benzyl)guanidine, 1-[4-(Trifluoromethyl)benzyl]guanidine, 1-[p-(Trifluoromethyl)benzyl]guanidine, 2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
Technical Specifications
| Molecular Formula | C9H10F3N3 |
| Molecular Weight | 217.08269 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.08269 Da |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
| SMILES | C1=CC(=CC=C1CN=C(N)N)C(F)(F)F |
| InChIKey | XMMKZZRJMIIBED-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Trifluoromethylbenzyl)guanidine
Property Insights of 1-(4-Trifluoromethylbenzyl)guanidine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Trifluoromethylbenzyl)guanidine. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Trifluoromethylbenzyl)guanidine. Following Lipinski's Rule of Five, 1-(4-Trifluoromethylbenzyl)guanidine has 2 hydrogen bond donor(s) and 4 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-Trifluoromethylbenzyl)guanidine?
The CAS number of 1-(4-Trifluoromethylbenzyl)guanidine is 14629-39-1.
What is the molecular formula of 1-(4-Trifluoromethylbenzyl)guanidine?
The molecular formula of 1-(4-Trifluoromethylbenzyl)guanidine is C9H10F3N3.
What is the molecular weight of 1-(4-Trifluoromethylbenzyl)guanidine?
The molecular weight of 1-(4-Trifluoromethylbenzyl)guanidine is 217.08269 g/mol.
Where can I buy 1-(4-Trifluoromethylbenzyl)guanidine?
You can request a quote for 1-(4-Trifluoromethylbenzyl)guanidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Trifluoromethylbenzyl)guanidine?
Yes, CoreyChem provides custom synthesis services for 1-(4-Trifluoromethylbenzyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.