(76Br)-3-Bromobenzylguanidine
TL;DR: (76Br)-3-Bromobenzylguanidine (CAS 90151-50-1) is a chemical compound with molecular formula C8H10BrN3 and molecular weight 227.00581 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-bromophenyl)methyl]guanidine
Also Known As: (m-Bromobenzyl)guanidine, 3-Bromobenzylguanidine, m-bromobenzylguanidine, 1-(3-Bromobenzyl)guanidine, 76 Br-Mbbg
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10BrN3 |
| Molecular Weight | 227.00581 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.00581 Da |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
| SMILES | C1=CC(=CC(=C1)Br)CN=C(N)N |
| InChIKey | NQAHHMUBLBQHKO-UHFFFAOYSA-N |
Chemical Property Profile of (76Br)-3-Bromobenzylguanidine
Property Insights of (76Br)-3-Bromobenzylguanidine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (76Br)-3-Bromobenzylguanidine. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (76Br)-3-Bromobenzylguanidine. Following Lipinski's Rule of Five, (76Br)-3-Bromobenzylguanidine 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 (76Br)-3-Bromobenzylguanidine?
The CAS number of (76Br)-3-Bromobenzylguanidine is 90151-50-1.
What is the molecular formula of (76Br)-3-Bromobenzylguanidine?
The molecular formula of (76Br)-3-Bromobenzylguanidine is C8H10BrN3.
What is the molecular weight of (76Br)-3-Bromobenzylguanidine?
The molecular weight of (76Br)-3-Bromobenzylguanidine is 227.00581 g/mol.
Where can I buy (76Br)-3-Bromobenzylguanidine?
You can request a quote for (76Br)-3-Bromobenzylguanidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (76Br)-3-Bromobenzylguanidine?
Yes, CoreyChem provides custom synthesis services for (76Br)-3-Bromobenzylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.