TL;DR: 2-[Bis(carboxymethyl)amino]acetic acid;trichloroiron (CAS 14695-88-6) is a chemical compound with molecular formula C6H9Cl3FeNO6 and molecular weight 351.8845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(carboxymethyl)amino]acetic acid;trichloroiron
Also Known As: Acetic acid, nitrilotri-, iron complex, 2-[bis(carboxymethyl)amino]acetic acid; trichloroiron, Nitrilotriacetic acid compd. with iron chloride, Trichloridoiron--2,2',2''-nitrilotriacetic acid (1/1)
| Molecular Formula | C6H9Cl3FeNO6 |
| Molecular Weight | 351.8845 g/mol |
| XLogP | 0.61 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.8845 Da |
| Heavy Atoms | 17 |
| Complexity | 195.0 |
| SMILES | C(C(=O)O)N(CC(=O)O)CC(=O)O.Cl[Fe](Cl)Cl |
| InChIKey | DGBYNMKSKMINML-UHFFFAOYSA-K |
The XLogP value of 0.61 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Bis(carboxymethyl)amino]acetic acid;trichloroiron. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Bis(carboxymethyl)amino]acetic acid;trichloroiron. Following Lipinski's Rule of Five, 2-[Bis(carboxymethyl)amino]acetic acid;trichloroiron has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[Bis(carboxymethyl)amino]acetic acid;trichloroiron is 14695-88-6.
The molecular formula of 2-[Bis(carboxymethyl)amino]acetic acid;trichloroiron is C6H9Cl3FeNO6.
The molecular weight of 2-[Bis(carboxymethyl)amino]acetic acid;trichloroiron is 351.8845 g/mol.
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