1-(3-Methylphenyl)guanidine
TL;DR: 1-(3-Methylphenyl)guanidine (CAS 45954-03-8) 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-(3-methylphenyl)guanidine
Also Known As: 1-(3-methylphenyl)guanidine, N-m-Tolyl-guanidine, M-Tolyl-guanidin, 1-(m-tolyl)guanidine, N-(3-methylphenyl)guanidine
| Molecular Formula | C8H11N3 |
|---|---|
| Molecular Weight | 149.10 g/mol |
| LogP | 1.1 |
| 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 | 45954-03-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N=C(N)N |
| InChIKey | YDJVDZNVDRVRGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Methylphenyl)guanidine (CAS 45954-03-8), with molecular formula C8H11N3 and molecular weight 149.10 g/mol. IUPAC: 2-(3-methylphenyl)guanidine.
Chemical Property Profile of 1-(3-Methylphenyl)guanidine
Property Insights of 1-(3-Methylphenyl)guanidine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methylphenyl)guanidine. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Methylphenyl)guanidine. Following Lipinski's Rule of Five, 1-(3-Methylphenyl)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 1-(3-Methylphenyl)guanidine?
The CAS number of 1-(3-Methylphenyl)guanidine is 45954-03-8.
What is the molecular formula of 1-(3-Methylphenyl)guanidine?
The molecular formula of 1-(3-Methylphenyl)guanidine is C8H11N3.
What is the molecular weight of 1-(3-Methylphenyl)guanidine?
The molecular weight of 1-(3-Methylphenyl)guanidine is 149.10 g/mol.
Where can I buy 1-(3-Methylphenyl)guanidine?
You can request a quote for 1-(3-Methylphenyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylphenyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylphenyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.