Ethanol, 2,2-dinitro-
TL;DR: Ethanol, 2,2-dinitro- (CAS 29609-98-1) is a chemical compound with molecular formula C2H4N2O5 and molecular weight 136.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dinitroethanol
Also Known As: 2,2-Dinitroethanol, Ethanol, 2,2-dinitro-, 2,2-dinitroethan-1-ol, 4-01-00-01389 (Beilstein Handbook Reference), RefChem:1084451
| Molecular Formula | C2H4N2O5 |
|---|---|
| Molecular Weight | 136.01 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.01202 |
| Heavy Atoms | 9 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 29609-98-1 |
|---|---|
| SMILES | C(C([N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | CXLFPNPZGJXQPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanol, 2,2-dinitro- (CAS 29609-98-1), with molecular formula C2H4N2O5 and molecular weight 136.01 g/mol. IUPAC: 2,2-dinitroethanol.
Chemical Property Profile of Ethanol, 2,2-dinitro-
Property Insights of Ethanol, 2,2-dinitro-
The XLogP value of -0.6 indicates that Ethanol, 2,2-dinitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2,2-dinitro-. Following Lipinski's Rule of Five, Ethanol, 2,2-dinitro- has 1 hydrogen bond donor(s) and 5 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 Ethanol, 2,2-dinitro-?
The CAS number of Ethanol, 2,2-dinitro- is 29609-98-1.
What is the molecular formula of Ethanol, 2,2-dinitro-?
The molecular formula of Ethanol, 2,2-dinitro- is C2H4N2O5.
What is the molecular weight of Ethanol, 2,2-dinitro-?
The molecular weight of Ethanol, 2,2-dinitro- is 136.01 g/mol.
Where can I buy Ethanol, 2,2-dinitro-?
You can request a quote for Ethanol, 2,2-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2,2-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2,2-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.