N-o-tolyl-guanidine
TL;DR: N-o-tolyl-guanidine (CAS 6976-05-2) is a chemical compound with molecular formula C8H11N3 and molecular weight 149.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylphenyl)guanidine
Also Known As: N-o-tolyl-guanidine, 1-(o-tolyl)guanidine, tolylguanidine, 2-(2-methylphenyl)guanidine, 2-(tolyl)guanidine
| Molecular Formula | C8H11N3 |
|---|---|
| Molecular Weight | 149.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.09529 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 6976-05-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N=C(N)N |
| InChIKey | VVFVRTNNLLZXAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-o-tolyl-guanidine (CAS 6976-05-2), with molecular formula C8H11N3 and molecular weight 149.10 g/mol. IUPAC: 2-(2-methylphenyl)guanidine.
Chemical Property Profile of N-o-tolyl-guanidine
Property Insights of N-o-tolyl-guanidine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-o-tolyl-guanidine. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-o-tolyl-guanidine. Following Lipinski's Rule of Five, N-o-tolyl-guanidine 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
Frequently Asked Questions
What is the CAS number of N-o-tolyl-guanidine?
The CAS number of N-o-tolyl-guanidine is 6976-05-2.
What is the molecular formula of N-o-tolyl-guanidine?
The molecular formula of N-o-tolyl-guanidine is C8H11N3.
What is the molecular weight of N-o-tolyl-guanidine?
The molecular weight of N-o-tolyl-guanidine is 149.10 g/mol.
Where can I buy N-o-tolyl-guanidine?
You can request a quote for N-o-tolyl-guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-o-tolyl-guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-o-tolyl-guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.