1,4,7-三氮杂环壬烷
TL;DR: 1,4,7-三氮杂环壬烷 (CAS 83834-39-3) is a chemical compound with molecular formula C6H15N3 and molecular weight 129.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7-三氮杂环壬烷
1,4,7-triazonane
Also Known As: 1,4,7-Triazonane, 1,4,7-Triazacyclononane, tacn, Triethylenetriamine, triazacyclononane
| Molecular Formula | C6H15N3 |
|---|---|
| Molecular Weight | 129.13 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.1266 |
| Heavy Atoms | 9 |
| Complexity | 45.0 |
Chemical Identifiers
| CAS Number | 83834-39-3 |
|---|---|
| SMILES | C1CNCCNCCN1 |
| InChIKey | ITWBWJFEJCHKSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,7-三氮杂环壬烷 (CAS 83834-39-3), with molecular formula C6H15N3 and molecular weight 129.13 g/mol. IUPAC: 1,4,7-triazonane.
Chemical Property Profile of 1,4,7-三氮杂环壬烷
Property Insights of 1,4,7-三氮杂环壬烷
The XLogP value of -1.9 indicates that 1,4,7-三氮杂环壬烷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.1 Ų, 1,4,7-三氮杂环壬烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,7-三氮杂环壬烷 has 3 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 1,4,7-三氮杂环壬烷?
The CAS number of 1,4,7-三氮杂环壬烷 is 83834-39-3.
What is the molecular formula of 1,4,7-三氮杂环壬烷?
The molecular formula of 1,4,7-三氮杂环壬烷 is C6H15N3.
What is the molecular weight of 1,4,7-三氮杂环壬烷?
The molecular weight of 1,4,7-三氮杂环壬烷 is 129.13 g/mol.
Where can I buy 1,4,7-三氮杂环壬烷?
You can request a quote for 1,4,7-三氮杂环壬烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7-三氮杂环壬烷?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7-三氮杂环壬烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.