TL;DR: Nitrosoiminodiacetic acid (CAS 25081-31-6) is a chemical compound with molecular formula C4H6N2O5 and molecular weight 162.02766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[carboxymethyl(nitroso)amino]acetic acid
Also Known As: Nitrosoiminodiacetic acid, N-Nitrosoiminodiacetic acid, Genotoxic Impurity 5, N-Nitrosoimidodiacetic acid, Glycine, N-(carboxymethyl)-N-nitroso-
| Molecular Formula | C4H6N2O5 |
| Molecular Weight | 162.02766 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.02766 Da |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
| SMILES | C(C(=O)O)N(CC(=O)O)N=O |
| InChIKey | XLYVHYXTFHZCNY-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that Nitrosoiminodiacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrosoiminodiacetic acid. Following Lipinski's Rule of Five, Nitrosoiminodiacetic acid has 2 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 Nitrosoiminodiacetic acid is 25081-31-6.
The molecular formula of Nitrosoiminodiacetic acid is C4H6N2O5.
The molecular weight of Nitrosoiminodiacetic acid is 162.02766 g/mol.
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