Triethylene glycol, mononitrate
TL;DR: Triethylene glycol, mononitrate (CAS 20600-87-7) is a chemical compound with molecular formula C6H13NO6 and molecular weight 195.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate
Also Known As: triethylene glycol nitrate, 2,2'- bisethanol1-nitrate, Triethylene glycol, mononitrate, Triethylene glycol mononitrate, 2-[2-(2-Hydroxyethoxy)ethoxy]ethyl nitrate
| Molecular Formula | C6H13NO6 |
|---|---|
| Molecular Weight | 195.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 195.07428 |
| Heavy Atoms | 13 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 20600-87-7 |
|---|---|
| SMILES | C(COCCOCCO[N+](=O)[O-])O |
| InChIKey | GCVXUERSYPSYQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triethylene glycol, mononitrate (CAS 20600-87-7), with molecular formula C6H13NO6 and molecular weight 195.07 g/mol. IUPAC: 2-[2-(2-hydroxyethoxy)ethoxy]ethyl nitrate.
Chemical Property Profile of Triethylene glycol, mononitrate
Property Insights of Triethylene glycol, mononitrate
The XLogP value of -0.5 indicates that Triethylene glycol, mononitrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethylene glycol, mononitrate. Following Lipinski's Rule of Five, Triethylene glycol, mononitrate has 1 hydrogen bond donor(s) and 6 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 Triethylene glycol, mononitrate?
The CAS number of Triethylene glycol, mononitrate is 20600-87-7.
What is the molecular formula of Triethylene glycol, mononitrate?
The molecular formula of Triethylene glycol, mononitrate is C6H13NO6.
What is the molecular weight of Triethylene glycol, mononitrate?
The molecular weight of Triethylene glycol, mononitrate is 195.07 g/mol.
Where can I buy Triethylene glycol, mononitrate?
You can request a quote for Triethylene glycol, mononitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethylene glycol, mononitrate?
Yes, KEHONG BIO provides custom synthesis services for Triethylene glycol, mononitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.