1,1-Dinitroethane
TL;DR: 1,1-Dinitroethane (CAS 600-40-8) is a chemical compound with molecular formula C2H4N2O4 and molecular weight 120.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dinitroethane
Also Known As: 1,1-DINITROETHANE, Ethane, 1,1-dinitro-, Dinitroethane, 1,1-dinitro-ethane, Ethane,1-dinitro-
| Molecular Formula | C2H4N2O4 |
|---|---|
| Molecular Weight | 120.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.017105 |
| Heavy Atoms | 8 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 600-40-8 |
|---|---|
| SMILES | CC([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LKKHEZBRRGJBGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dinitroethane (CAS 600-40-8), with molecular formula C2H4N2O4 and molecular weight 120.02 g/mol. IUPAC: 1,1-dinitroethane.
Chemical Property Profile of 1,1-Dinitroethane
Property Insights of 1,1-Dinitroethane
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dinitroethane. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dinitroethane. Following Lipinski's Rule of Five, 1,1-Dinitroethane has 0 hydrogen bond donor(s) and 4 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 1,1-Dinitroethane?
The CAS number of 1,1-Dinitroethane is 600-40-8.
What is the molecular formula of 1,1-Dinitroethane?
The molecular formula of 1,1-Dinitroethane is C2H4N2O4.
What is the molecular weight of 1,1-Dinitroethane?
The molecular weight of 1,1-Dinitroethane is 120.02 g/mol.
Where can I buy 1,1-Dinitroethane?
You can request a quote for 1,1-Dinitroethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dinitroethane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dinitroethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.