Trisodium Nitrilotriacetate
TL;DR: Trisodium Nitrilotriacetate (CAS 5064-31-3) is a chemical compound with molecular formula C6H6NNa3O6 and molecular weight 256.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-[bis(carboxylatomethyl)amino]acetate
Also Known As: TRISODIUM NITRILOTRIACETATE, Trisodium NTA, Hampshire NTA, Ntana3, Nitrilotriacetic acid trisodium salt
| Molecular Formula | C6H6NNa3O6 |
|---|---|
| Molecular Weight | 256.99 g/mol |
| LogP | -14.45 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.98883 |
| Heavy Atoms | 16 |
| Complexity | 171.0 |
| Solubility | Solubility in water, g/100ml at 20 °C: 93 |
Chemical Identifiers
| CAS Number | 5064-31-3 |
|---|---|
| SMILES | C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | DZCAZXAJPZCSCU-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trisodium Nitrilotriacetate (CAS 5064-31-3), with molecular formula C6H6NNa3O6 and molecular weight 256.99 g/mol. IUPAC: trisodium;2-[bis(carboxylatomethyl)amino]acetate.
Chemical Property Profile of Trisodium Nitrilotriacetate
Property Insights of Trisodium Nitrilotriacetate
The XLogP value of -14.45 indicates that Trisodium Nitrilotriacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trisodium Nitrilotriacetate. Following Lipinski's Rule of Five, Trisodium Nitrilotriacetate has 0 hydrogen bond donor(s) and 7 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 Trisodium Nitrilotriacetate?
The CAS number of Trisodium Nitrilotriacetate is 5064-31-3.
What is the molecular formula of Trisodium Nitrilotriacetate?
The molecular formula of Trisodium Nitrilotriacetate is C6H6NNa3O6.
What is the molecular weight of Trisodium Nitrilotriacetate?
The molecular weight of Trisodium Nitrilotriacetate is 256.99 g/mol.
Where can I buy Trisodium Nitrilotriacetate?
You can request a quote for Trisodium Nitrilotriacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trisodium Nitrilotriacetate?
Yes, KEHONG BIO provides custom synthesis services for Trisodium Nitrilotriacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.