1,1-Diethylguanidine
TL;DR: 1,1-Diethylguanidine (CAS 18240-93-2) is a chemical compound with molecular formula C5H13N3 and molecular weight 115.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethylguanidine
Also Known As: 1,1-Diethylguanidine, N,N-Diethyl-guanidine, N,N-Diethylguanidine, Diathylguanidin, Guanidine, N,N-diethyl-
| Molecular Formula | C5H13N3 |
|---|---|
| Molecular Weight | 115.11 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 115.11095 |
| Heavy Atoms | 8 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 18240-93-2 |
|---|---|
| SMILES | CCN(CC)C(=N)N |
| InChIKey | PDDWJLGBNYUCQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Diethylguanidine (CAS 18240-93-2), with molecular formula C5H13N3 and molecular weight 115.11 g/mol. IUPAC: 1,1-diethylguanidine.
Chemical Property Profile of 1,1-Diethylguanidine
Property Insights of 1,1-Diethylguanidine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diethylguanidine. With a topological polar surface area (TPSA) of 53.1 Ų, 1,1-Diethylguanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diethylguanidine 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 1,1-Diethylguanidine?
The CAS number of 1,1-Diethylguanidine is 18240-93-2.
What is the molecular formula of 1,1-Diethylguanidine?
The molecular formula of 1,1-Diethylguanidine is C5H13N3.
What is the molecular weight of 1,1-Diethylguanidine?
The molecular weight of 1,1-Diethylguanidine is 115.11 g/mol.
Where can I buy 1,1-Diethylguanidine?
You can request a quote for 1,1-Diethylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diethylguanidine?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diethylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.