2-Butylguanidine
TL;DR: 2-Butylguanidine (CAS 462-69-1) 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.
2-butylguanidine
Also Known As: N-butylguanidine, 2-butylguanidine, 1-butylguanidine, Guanidine, butyl-, N-butyl-guanidine
| Molecular Formula | C5H13N3 |
|---|---|
| Molecular Weight | 115.11 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 115.11095 |
| Heavy Atoms | 8 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 462-69-1 |
|---|---|
| SMILES | CCCCN=C(N)N |
| InChIKey | CGWBIHLHAGNJCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butylguanidine (CAS 462-69-1), with molecular formula C5H13N3 and molecular weight 115.11 g/mol. IUPAC: 2-butylguanidine.
Chemical Property Profile of 2-Butylguanidine
Property Insights of 2-Butylguanidine
The XLogP value of -0.1 indicates that 2-Butylguanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butylguanidine. Following Lipinski's Rule of Five, 2-Butylguanidine 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 2-Butylguanidine?
The CAS number of 2-Butylguanidine is 462-69-1.
What is the molecular formula of 2-Butylguanidine?
The molecular formula of 2-Butylguanidine is C5H13N3.
What is the molecular weight of 2-Butylguanidine?
The molecular weight of 2-Butylguanidine is 115.11 g/mol.
Where can I buy 2-Butylguanidine?
You can request a quote for 2-Butylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butylguanidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Butylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.