Trisodium nitrilotriacetate monohydrate
TL;DR: Trisodium nitrilotriacetate monohydrate (CAS 18662-53-8) is a chemical compound with molecular formula C6H8NNa3O7 and molecular weight 275.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate
Also Known As: NTA sodium hydrate, Nitrilotriacetic acid trisodium salt monohydrate, Trisodium nitrilotriacetate monohydrate, TRISODIUM, NTA trisodium salt dihydrate
| Molecular Formula | C6H8NNa3O7 |
|---|---|
| Molecular Weight | 275.00 g/mol |
| LogP | -15.27 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.9994 |
| Heavy Atoms | 17 |
| Complexity | 171.0 |
| Melting Point | 410.0 °C approximately (monohydrate) |
| Density | Density (at 25 °C): 1.782 g/cm³ |
| Solubility | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 18662-53-8 |
|---|---|
| SMILES | C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+] |
| InChIKey | HERBOKBJKVUALN-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trisodium nitrilotriacetate monohydrate (CAS 18662-53-8), with molecular formula C6H8NNa3O7 and molecular weight 275.00 g/mol. IUPAC: trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate.
Chemical Property Profile of Trisodium nitrilotriacetate monohydrate
Property Insights of Trisodium nitrilotriacetate monohydrate
The XLogP value of -15.27 indicates that Trisodium nitrilotriacetate monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trisodium nitrilotriacetate monohydrate. Following Lipinski's Rule of Five, Trisodium nitrilotriacetate monohydrate has 1 hydrogen bond donor(s) and 8 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 monohydrate?
The CAS number of Trisodium nitrilotriacetate monohydrate is 18662-53-8.
What is the molecular formula of Trisodium nitrilotriacetate monohydrate?
The molecular formula of Trisodium nitrilotriacetate monohydrate is C6H8NNa3O7.
What is the molecular weight of Trisodium nitrilotriacetate monohydrate?
The molecular weight of Trisodium nitrilotriacetate monohydrate is 275.00 g/mol.
Where can I buy Trisodium nitrilotriacetate monohydrate?
You can request a quote for Trisodium nitrilotriacetate monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trisodium nitrilotriacetate monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Trisodium nitrilotriacetate monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.