TL;DR: Ethylenediaminetetraacetic Acid Disodium Nickel(II) Salt Hydrate (CAS 15708-55-1) is a chemical compound with molecular formula C10H12N2Na2NiO8 and molecular weight 391.97424 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;nickel(2+)
Also Known As: Sequestrene NA2NI, Disodium nickel EDTA, Nickel Disodium EDTA, EDTA nickel disodium salt, EDTA-Ni
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H12N2Na2NiO8 |
| Molecular Weight | 391.97424 g/mol |
| XLogP | -13.4045 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.97424 Da |
| Heavy Atoms | 23 |
| Complexity | 293.0 |
| SMILES | C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ni+2] |
| InChIKey | AOBXSTDXJGPLRC-UHFFFAOYSA-J |
The XLogP value of -13.4045 indicates that Ethylenediaminetetraacetic Acid Disodium Nickel(II) Salt Hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting Ethylenediaminetetraacetic Acid Disodium Nickel(II) Salt Hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethylenediaminetetraacetic Acid Disodium Nickel(II) Salt Hydrate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethylenediaminetetraacetic Acid Disodium Nickel(II) Salt Hydrate is 15708-55-1.
The molecular formula of Ethylenediaminetetraacetic Acid Disodium Nickel(II) Salt Hydrate is C10H12N2Na2NiO8.
The molecular weight of Ethylenediaminetetraacetic Acid Disodium Nickel(II) Salt Hydrate is 391.97424 g/mol.
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