N,N,N'-Trimethylguanidine
TL;DR: N,N,N'-Trimethylguanidine (CAS 31081-41-1) is a chemical compound with molecular formula C4H11N3 and molecular weight 101.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2-trimethylguanidine
Also Known As: N,N,N'-Trimethylguanidine, trimethylguanidin, N,N,N''-trimethylguanidine, 1,1,2-trimethylguanidine, 1,1,3-trimethylguanidine
| Molecular Formula | C4H11N3 |
|---|---|
| Molecular Weight | 101.10 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 101.0953 |
| Heavy Atoms | 7 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 31081-41-1 |
|---|---|
| SMILES | CN=C(N)N(C)C |
| InChIKey | NQOFYFRKWDXGJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N,N'-Trimethylguanidine (CAS 31081-41-1), with molecular formula C4H11N3 and molecular weight 101.10 g/mol. IUPAC: 1,1,2-trimethylguanidine.
Chemical Property Profile of N,N,N'-Trimethylguanidine
Property Insights of N,N,N'-Trimethylguanidine
The XLogP value of -0.7 indicates that N,N,N'-Trimethylguanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.6 Ų, N,N,N'-Trimethylguanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N'-Trimethylguanidine has 1 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,N,N'-Trimethylguanidine?
The CAS number of N,N,N'-Trimethylguanidine is 31081-41-1.
What is the molecular formula of N,N,N'-Trimethylguanidine?
The molecular formula of N,N,N'-Trimethylguanidine is C4H11N3.
What is the molecular weight of N,N,N'-Trimethylguanidine?
The molecular weight of N,N,N'-Trimethylguanidine is 101.10 g/mol.
Where can I buy N,N,N'-Trimethylguanidine?
You can request a quote for N,N,N'-Trimethylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,N'-Trimethylguanidine?
Yes, KEHONG BIO provides custom synthesis services for N,N,N'-Trimethylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.