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Disodium Ethylenediaminetetraacetate
CAS: 139-33-3 | C10H16N2Na2O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 139-33-3
- Molecular Formula
- C10H16N2Na2O8
- Molecular Mass
- 338.22 g/mol
Identifiers
CAS Registry Number
139-33-3
SMILES
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na].[Na]
InChI Key
BDOYKFSQFYNPKF-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2O8.2Na/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);;
Names and Synonyms
- Disodium Ethylenediaminetetraacetate Common Name
- Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, sodium salt (1:2) Synonym
- Acetic acid, (ethylenedinitrilo)tetra-, disodium salt Synonym
- Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, disodium salt Synonym
- Complexon III Synonym
- Disodium diacid ethylenediaminetetraacetate Synonym
- Disodium dihydrogen ethylenediaminetetraacetate Synonym
- Disodium edetate Synonym
- Disodium EDTA Synonym
- Disodium ethylenediaminetetraacetate Synonym
- Disodium (ethylenedinitrilo)tetraacetate Synonym
- Disodium sequestrene Synonym
- Disodium versene Synonym
- Edathamil disodium Synonym
- Edetate Disodium Synonym
- Endrate disodium Synonym
- Metaquest B Synonym
- Triplex III Synonym
- Chelaplex III Synonym
- Ethylenediaminetetraacetic acid disodium salt Synonym
- Disodium versenate Synonym
- Disodium tetracemate Synonym
- F 1 (complexon) Synonym
- Selekton B2 Synonym
- Sodium versenate Synonym
- F 1 Synonym
- Titriplex III Synonym
- Perma Kleer Di Crystals Synonym
- Versene NA Synonym
- Versene Na2 Synonym
- Sequestrene Na2 Synonym
- Disodium ethylenediamine-N,N,N′,N′-tetraacetate Synonym
- Trilon BD Synonym
- Chelest B Synonym
- Chelaton III Synonym
- Chelaplex Synonym
- Zonon D Synonym
- Disodium ethylenediaminetetraacetic acid salt Synonym
- Dotite 2NA Synonym
- Khelaton 3 Synonym
- EDTA disodium salt Synonym
- Komplexon III Synonym
- Mavacid ED 4 Synonym
- Chelest 200 Synonym
- Clewat N Synonym
- Versonol 120 Synonym
- Tetracemate disodium Synonym
- Versene disodium salt Synonym
- Disodium edathamil Synonym
- Clewat N 2 Synonym
- Salina Synonym
- Dissolvine Na2 Synonym
- Chelest 2BS Synonym
- TW 204 Synonym
- Idranal III Synonym
- Nervanaid Ba2 Synonym
- Edeta BD Synonym
- Dissolvine Na2S Synonym
- Dissolvine Na 2T Synonym
- Dissolvine Na 2x Synonym
- VRP 1034 Synonym
- Ethylenedinitrilotetraacetate disodium Synonym
- Chelest 2B-SD Synonym
- EDTA•Na2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 338.22 g/mol | CAS Common Chemistry |
| 338.22400000000005 g/mol | RDKit | |
| 338.224 g/mol | RDKit | |
| 340.24 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2O8.2Na/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);; | CAS Common Chemistry |
| InChI Key | InChIKey=BDOYKFSQFYNPKF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 252 °C (decomp) | CAS Common Chemistry |
| Name | Disodium ethylenediaminetetraacetate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 155.68 Ų | RDKit |
| 155.22 Ų | chempirical lib | |
| LogP | -2.8327999999999953 | RDKit |
| -2.8328 | RDKit | |
| Molar Refractivity | 74.93120000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 338.070204032 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
