N-methyl-N'-nitroguanidine
TL;DR: N-methyl-N'-nitroguanidine (CAS 4245-76-5) is a chemical compound with molecular formula C2H6N4O2 and molecular weight 118.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-nitroguanidine
Also Known As: 1-Methyl-3-nitroguanidine, N-Methyl-N'-nitroguanidine, 2-methyl-1-nitroguanidine, 1-methyl-2-nitroguanidine, N-Methyl-N-nitroguanidine
| Molecular Formula | C2H6N4O2 |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.04907 |
| Heavy Atoms | 8 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 4245-76-5 |
|---|---|
| SMILES | CN=C(N)N[N+](=O)[O-] |
| InChIKey | XCXKNNGWSDYMMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-methyl-N'-nitroguanidine (CAS 4245-76-5), with molecular formula C2H6N4O2 and molecular weight 118.05 g/mol. IUPAC: 2-methyl-1-nitroguanidine.
Chemical Property Profile of N-methyl-N'-nitroguanidine
Property Insights of N-methyl-N'-nitroguanidine
The XLogP value of -0.7 indicates that N-methyl-N'-nitroguanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-N'-nitroguanidine. Following Lipinski's Rule of Five, N-methyl-N'-nitroguanidine has 2 hydrogen bond donor(s) and 3 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-methyl-N'-nitroguanidine?
The CAS number of N-methyl-N'-nitroguanidine is 4245-76-5.
What is the molecular formula of N-methyl-N'-nitroguanidine?
The molecular formula of N-methyl-N'-nitroguanidine is C2H6N4O2.
What is the molecular weight of N-methyl-N'-nitroguanidine?
The molecular weight of N-methyl-N'-nitroguanidine is 118.05 g/mol.
Where can I buy N-methyl-N'-nitroguanidine?
You can request a quote for N-methyl-N'-nitroguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-N'-nitroguanidine?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-N'-nitroguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.