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Disodium Edta Dihydrate
CAS: 6381-92-6 | C10H20N2Na2O10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6381-92-6
Molecular Formula:
C10H20N2Na2O10
Molecular Mass:
374.25 g/mol
Names and Synonyms:
Disodium Edta Dihydrate
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, sodium salt, hydrate (1:2:2)
Acetic acid, (ethylenedinitrilo)tetra-, disodium salt, dihydrate
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, disodium salt, dihydrate
Disodium dihydrogen ethylenediaminetetraacetate dihydrate
Disodium EDTA dihydrate
Disodium ethylenediaminetetraacetate dihydrate
Ethylenediaminetetraacetic acid disodium salt dihydrate
Disodium edetate dihydrate
Chelest F-NA
Edetate disodium dihydrate
Identifiers:
SMILES:
O.O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na].[Na]
InChI:
InChI=1S/C10H16N2O8.2Na.2H2O/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);;;2*1H2
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 | 374.25 g/mol | CAS Common Chemistry |
| 374.2540000000001 g/mol | RDKit | |
| 374.0913334 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2O8.2Na.2H2O/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);;;2*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FXKZPKBFTQUJBA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Disodium EDTA dihydrate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 218.67999999999995 Ų | RDKit |
| LogP | -4.4821999999999935 | RDKit |
| Molar Refractivity | 82.15880000000004 | RDKit |
