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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
Names and Synonyms:
Disodium Ethylenediaminetetraacetate
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, sodium salt (1:2)
Acetic acid, (ethylenedinitrilo)tetra-, disodium salt
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, disodium salt
Complexon III
Disodium diacid ethylenediaminetetraacetate
Disodium dihydrogen ethylenediaminetetraacetate
Disodium edetate
Disodium EDTA
Disodium ethylenediaminetetraacetate
Disodium (ethylenedinitrilo)tetraacetate
Disodium sequestrene
Disodium versene
Edathamil disodium
Edetate Disodium
Endrate disodium
Metaquest B
Triplex III
Chelaplex III
Ethylenediaminetetraacetic acid disodium salt
Disodium versenate
Disodium tetracemate
F 1 (complexon)
Selekton B2
Sodium versenate
F 1
Titriplex III
Perma Kleer Di Crystals
Versene NA
Versene Na2
Sequestrene Na2
Disodium ethylenediamine-N,N,N′,N′-tetraacetate
Trilon BD
Chelest B
Chelaton III
Chelaplex
Zonon D
Disodium ethylenediaminetetraacetic acid salt
Dotite 2NA
Khelaton 3
EDTA disodium salt
Komplexon III
Mavacid ED 4
Chelest 200
Clewat N
Versonol 120
Tetracemate disodium
Versene disodium salt
Disodium edathamil
Clewat N 2
Salina
Dissolvine Na2
Chelest 2BS
TW 204
Idranal III
Nervanaid Ba2
Edeta BD
Dissolvine Na2S
Dissolvine Na 2T
Dissolvine Na 2x
VRP 1034
Ethylenedinitrilotetraacetate disodium
Chelest 2B-SD
EDTA•Na2
Identifiers:
SMILES:
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na].[Na]
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);;
Key Properties
Melting Point
252 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 338.22 g/mol | CAS Common Chemistry |
| 338.22400000000005 g/mol | RDKit | |
| 338.070204032 g/mol | RDKit | |
| 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 |
| LogP | -2.8327999999999953 | RDKit |
| Molar Refractivity | 74.93120000000003 | RDKit |
