Ethylene glycol dinitrate
TL;DR: Ethylene glycol dinitrate (CAS 628-96-6) is a chemical compound with molecular formula C2H4N2O6 and molecular weight 152.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrooxyethyl nitrate
Also Known As: Dinitroglycol, Nitroglycol, Ethylene nitrate, Ethylene dinitrate, Glycol dinitrate
| Molecular Formula | C2H4N2O6 |
|---|---|
| Molecular Weight | 152.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.00694 |
| Heavy Atoms | 10 |
| Complexity | 107.0 |
| Melting Point | -22.2 °C |
| Boiling Point | 197.2 °C at 760 mmHg |
| Density | 1.49 |
| Solubility | Insoluble (NIOSH, 2024) |
| Flash Point | 215.0 °C |
| Vapor Pressure | 0.05 mmHg |
| Refractive Index | 1.499 at 15 °C |
Chemical Identifiers
| CAS Number | 628-96-6 |
|---|---|
| SMILES | C(CO[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | UQXKXGWGFRWILX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylene glycol dinitrate (CAS 628-96-6), with molecular formula C2H4N2O6 and molecular weight 152.01 g/mol. IUPAC: 2-nitrooxyethyl nitrate.
Chemical Property Profile of Ethylene glycol dinitrate
Property Insights of Ethylene glycol dinitrate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylene glycol dinitrate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethylene glycol dinitrate. Following Lipinski's Rule of Five, Ethylene glycol dinitrate has 0 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 Ethylene glycol dinitrate?
The CAS number of Ethylene glycol dinitrate is 628-96-6.
What is the molecular formula of Ethylene glycol dinitrate?
The molecular formula of Ethylene glycol dinitrate is C2H4N2O6.
What is the molecular weight of Ethylene glycol dinitrate?
The molecular weight of Ethylene glycol dinitrate is 152.01 g/mol.
Where can I buy Ethylene glycol dinitrate?
You can request a quote for Ethylene glycol dinitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylene glycol dinitrate?
Yes, KEHONG BIO provides custom synthesis services for Ethylene glycol dinitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.