硝酸乙酯
TL;DR: 硝酸乙酯 (CAS 625-58-1) is a chemical compound with molecular formula C2H5NO3 and molecular weight 91.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸乙酯
ethyl nitrate
Also Known As: ETHYL NITRATE, Nitric ether, Nitric acid, ethyl ester, ethylnitrate, Ethyl ester
| Molecular Formula | C2H5NO3 |
|---|---|
| Molecular Weight | 91.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 91.02694 |
| Heavy Atoms | 6 |
| Complexity | 47.0 |
| Melting Point | -94.6 °C |
| Boiling Point | 87.2 °C @ 762 mm Hg |
| Density | 1.1084 @ 20 °C |
| Solubility | Sol in alcohol and ether; insoluble in water |
| Flash Point | 10.0 °C (NFPA, 2010) |
| Vapor Pressure | 64.0 [mmHg] |
| Refractive Index | 1.3852 @ 20 °C |
Chemical Identifiers
| CAS Number | 625-58-1 |
|---|---|
| SMILES | CCO[N+](=O)[O-] |
| InChIKey | IDNUEBSJWINEMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝酸乙酯 (CAS 625-58-1), with molecular formula C2H5NO3 and molecular weight 91.03 g/mol. IUPAC: ethyl nitrate.
Chemical Property Profile of 硝酸乙酯
Property Insights of 硝酸乙酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝酸乙酯. With a topological polar surface area (TPSA) of 55.1 Ų, 硝酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝酸乙酯 has 0 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 硝酸乙酯?
The CAS number of 硝酸乙酯 is 625-58-1.
What is the molecular formula of 硝酸乙酯?
The molecular formula of 硝酸乙酯 is C2H5NO3.
What is the molecular weight of 硝酸乙酯?
The molecular weight of 硝酸乙酯 is 91.03 g/mol.
Where can I buy 硝酸乙酯?
You can request a quote for 硝酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.