二硝基甲烷
TL;DR: 二硝基甲烷 (CAS 625-76-3) is a chemical compound with molecular formula CH2N2O4 and molecular weight 106.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二硝基甲烷
dinitromethane
Also Known As: DINITROMETHANE, Methane, dinitro-, dinitro-methane, Dinitromethane [Forbidden], Ex091
| Molecular Formula | CH2N2O4 |
|---|---|
| Molecular Weight | 106.00 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.00146 |
| Heavy Atoms | 7 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 625-76-3 |
|---|---|
| SMILES | C([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WINNISSSXBRWMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二硝基甲烷 (CAS 625-76-3), with molecular formula CH2N2O4 and molecular weight 106.00 g/mol. IUPAC: dinitromethane.
Chemical Property Profile of 二硝基甲烷
Property Insights of 二硝基甲烷
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二硝基甲烷. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 二硝基甲烷. Following Lipinski's Rule of Five, 二硝基甲烷 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 二硝基甲烷?
The CAS number of 二硝基甲烷 is 625-76-3.
What is the molecular formula of 二硝基甲烷?
The molecular formula of 二硝基甲烷 is CH2N2O4.
What is the molecular weight of 二硝基甲烷?
The molecular weight of 二硝基甲烷 is 106.00 g/mol.
Where can I buy 二硝基甲烷?
You can request a quote for 二硝基甲烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二硝基甲烷?
Yes, KEHONG BIO provides custom synthesis services for 二硝基甲烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.