1,1-Bis(2-methylpropyl)guanidine
TL;DR: 1,1-Bis(2-methylpropyl)guanidine (CAS 45015-85-8) is a chemical compound with molecular formula C9H21N3 and molecular weight 171.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(2-methylpropyl)guanidine
Also Known As: 1,1-Diisobutylguanidine, 1,1-bis(2-methylpropyl)guanidine, N,N-bis(2-methylpropyl)guanidine
| Molecular Formula | C9H21N3 |
|---|---|
| Molecular Weight | 171.17 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 171.17355 |
| Heavy Atoms | 12 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 45015-85-8 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)C(=N)N |
| InChIKey | WALDZXWGTQALJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Bis(2-methylpropyl)guanidine (CAS 45015-85-8), with molecular formula C9H21N3 and molecular weight 171.17 g/mol. IUPAC: 1,1-bis(2-methylpropyl)guanidine.
Chemical Property Profile of 1,1-Bis(2-methylpropyl)guanidine
Property Insights of 1,1-Bis(2-methylpropyl)guanidine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Bis(2-methylpropyl)guanidine. With a topological polar surface area (TPSA) of 53.1 Ų, 1,1-Bis(2-methylpropyl)guanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Bis(2-methylpropyl)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 1,1-Bis(2-methylpropyl)guanidine?
The CAS number of 1,1-Bis(2-methylpropyl)guanidine is 45015-85-8.
What is the molecular formula of 1,1-Bis(2-methylpropyl)guanidine?
The molecular formula of 1,1-Bis(2-methylpropyl)guanidine is C9H21N3.
What is the molecular weight of 1,1-Bis(2-methylpropyl)guanidine?
The molecular weight of 1,1-Bis(2-methylpropyl)guanidine is 171.17 g/mol.
Where can I buy 1,1-Bis(2-methylpropyl)guanidine?
You can request a quote for 1,1-Bis(2-methylpropyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis(2-methylpropyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis(2-methylpropyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.