三羟甲基硝基甲烷
TL;DR: 三羟甲基硝基甲烷 (CAS 126-11-4) is a chemical compound with molecular formula C4H9NO5 and molecular weight 151.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三羟甲基硝基甲烷
2-(hydroxymethyl)-2-nitropropane-1,3-diol
Also Known As: Tris(hydroxymethyl)nitromethane, Cimcool wafers, Tris nitro, Trimethylolnitromethane, 2-(Hydroxymethyl)-2-nitropropane-1,3-diol
| Molecular Formula | C4H9NO5 |
|---|---|
| Molecular Weight | 151.05 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.04807 |
| Heavy Atoms | 10 |
| Complexity | 107.0 |
| Melting Point | 214 °C (pure) |
| Solubility | Soluble in polar solvents such as methanol and isopropanol. Insoluble in non-polar solvents such as aliphatic and aromatic hydrocarbons. |
| Vapor Pressure | 0.00000154 [mmHg] |
Chemical Identifiers
| CAS Number | 126-11-4 |
|---|---|
| SMILES | C(C(CO)(CO)[N+](=O)[O-])O |
| InChIKey | OLQJQHSAWMFDJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三羟甲基硝基甲烷 (CAS 126-11-4), with molecular formula C4H9NO5 and molecular weight 151.05 g/mol. IUPAC: 2-(hydroxymethyl)-2-nitropropane-1,3-diol.
Chemical Property Profile of 三羟甲基硝基甲烷
Property Insights of 三羟甲基硝基甲烷
The XLogP value of -2.2 indicates that 三羟甲基硝基甲烷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 三羟甲基硝基甲烷. Following Lipinski's Rule of Five, 三羟甲基硝基甲烷 has 3 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 三羟甲基硝基甲烷?
The CAS number of 三羟甲基硝基甲烷 is 126-11-4.
What is the molecular formula of 三羟甲基硝基甲烷?
The molecular formula of 三羟甲基硝基甲烷 is C4H9NO5.
What is the molecular weight of 三羟甲基硝基甲烷?
The molecular weight of 三羟甲基硝基甲烷 is 151.05 g/mol.
Where can I buy 三羟甲基硝基甲烷?
You can request a quote for 三羟甲基硝基甲烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三羟甲基硝基甲烷?
Yes, KEHONG BIO provides custom synthesis services for 三羟甲基硝基甲烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.