N-((2-Methylphenyl)methyl)guanidine
TL;DR: N-((2-Methylphenyl)methyl)guanidine (CAS 46053-91-2) is a chemical compound with molecular formula C9H13N3 and molecular weight 163.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylphenyl)methyl]guanidine
Also Known As: 1-(2-Methylbenzyl)guanidine, (o-Methylbenzyl)guanidine, 2-Guanidinomethyl-toluol, GUANIDINE, (o-METHYLBENZYL)-, Guanidine, ((2-methylphenyl)methyl)-
| Molecular Formula | C9H13N3 |
|---|---|
| Molecular Weight | 163.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.11095 |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 46053-91-2 |
|---|---|
| SMILES | CC1=CC=CC=C1CN=C(N)N |
| InChIKey | LGGPGRCUXWQIDU-UHFFFAOYSA-N |
Product Overview
N-((2-Methylphenyl)methyl)guanidine (CAS 46053-91-2), with molecular formula C9H13N3 and molecular weight 163.11 g/mol. IUPAC: 2-[(2-methylphenyl)methyl]guanidine.
Chemical Property Profile of N-((2-Methylphenyl)methyl)guanidine
Property Insights of N-((2-Methylphenyl)methyl)guanidine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((2-Methylphenyl)methyl)guanidine. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2-Methylphenyl)methyl)guanidine. Following Lipinski's Rule of Five, N-((2-Methylphenyl)methyl)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-((2-Methylphenyl)methyl)guanidine?
The CAS number of N-((2-Methylphenyl)methyl)guanidine is 46053-91-2.
What is the molecular formula of N-((2-Methylphenyl)methyl)guanidine?
The molecular formula of N-((2-Methylphenyl)methyl)guanidine is C9H13N3.
What is the molecular weight of N-((2-Methylphenyl)methyl)guanidine?
The molecular weight of N-((2-Methylphenyl)methyl)guanidine is 163.11 g/mol.
Where can I buy N-((2-Methylphenyl)methyl)guanidine?
You can request a quote for N-((2-Methylphenyl)methyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((2-Methylphenyl)methyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-((2-Methylphenyl)methyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.