磷酸三乙醇胺硝酸酯
TL;DR: 磷酸三乙醇胺硝酸酯 (CAS 588-42-1) is a chemical compound with molecular formula C6H18N4O17P2 and molecular weight 480.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸三乙醇胺硝酸酯
2-[bis(2-nitrooxyethyl)amino]ethyl nitrate;phosphoric acid
Also Known As: Metamine, Nitretamin, TROLNITRATE PHOSPHATE, Nitrocardiol, Praenitrona
| Molecular Formula | C6H18N4O17P2 |
|---|---|
| Molecular Weight | 480.01 g/mol |
| LogP | -2.94 |
| Topological Polar Surface Area | 324.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.01422 |
| Heavy Atoms | 29 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 588-42-1 |
|---|---|
| SMILES | C(CO[N+](=O)[O-])N(CCO[N+](=O)[O-])CCO[N+](=O)[O-].OP(=O)(O)O.OP(=O)(O)O |
| InChIKey | UOCLRXFKRLRMKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸三乙醇胺硝酸酯 (CAS 588-42-1), with molecular formula C6H18N4O17P2 and molecular weight 480.01 g/mol. IUPAC: 2-[bis(2-nitrooxyethyl)amino]ethyl nitrate;phosphoric acid.
Chemical Property Profile of 磷酸三乙醇胺硝酸酯
Property Insights of 磷酸三乙醇胺硝酸酯
The XLogP value of -2.94 indicates that 磷酸三乙醇胺硝酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 324.0 Ų indicates high polarity, suggesting 磷酸三乙醇胺硝酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 磷酸三乙醇胺硝酸酯 has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 磷酸三乙醇胺硝酸酯?
The CAS number of 磷酸三乙醇胺硝酸酯 is 588-42-1.
What is the molecular formula of 磷酸三乙醇胺硝酸酯?
The molecular formula of 磷酸三乙醇胺硝酸酯 is C6H18N4O17P2.
What is the molecular weight of 磷酸三乙醇胺硝酸酯?
The molecular weight of 磷酸三乙醇胺硝酸酯 is 480.01 g/mol.
Where can I buy 磷酸三乙醇胺硝酸酯?
You can request a quote for 磷酸三乙醇胺硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸三乙醇胺硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸三乙醇胺硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.