SODIUM ETHYLENEDIAMINETETRAACETATE
General Information
| Mainterm | SODIUM ETHYLENEDIAMINETETRAACETATE |
| CAS Reg.No.(or other ID) | 7379-28-4 |
| Regnum |
175.105 177.2800 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 23669631 |
| IUPAC Name | sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate |
| InChI | InChI=1S/C10H16N2O8.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+1/p-1 |
| InChI Key | HLWRUJAIJJEZDL-UHFFFAOYSA-M |
| Canonical SMILES | C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)O.[Na+] |
| Molecular Formula | C10H15N2NaO8 |
| Wikipedia | monosodium ethylenediaminetetraacetate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 314.226 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Complexity | 373.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B z P C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A H g A A C A A A A A D B g A Q A C A M A A g A I A A C Q C A A A A A A A A A A A A A C I A A A C Q A A A A C A Q A A A A A A C Q A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 159.0 |
| Monoisotopic Mass | 314.073 |
| Exact Mass | 314.073 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Tetracarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetracarboxylic acids and derivatives |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Tetracarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Organic alkali metal salt - Organic sodium salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organic salt - Organic zwitterion - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. |
From ClassyFire