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Magnesium Disodium Edta
CAS: 14402-88-1 | C10H12MgN2Na2O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14402-88-1
Molecular Formula:
C10H12MgN2Na2O8
Molecular Mass:
358.50 g/mol
Names and Synonyms:
Magnesium Disodium Edta
Magnesate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium (1:2), (OC-6-21)-
Magnesate(2-), [(ethylenedinitrilo)tetraacetato]-, disodium
Magnesate(2-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N′,O,O′,ON,ON′]-, disodium, (OC-6-21)-
Sodium [(ethylenedinitrilo)tetraacetato]magnesate
Magnesate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, disodium, (OC-6-21)-
Magnesium disodium EDTA
Disodium magnesium ethylenediaminetetraacetate
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, magnesium disodium salt
Magnesium disodium ethylenediaminetetraacetate
Magnesium disodium ethylenediaminetetraacetic acid
Chelest Mg 40
Mg 40
EDTA disodium magnesium
magnesium EDTA disodium salt
EDTA magnesium disodium salt
disodium EDTA magnesium
disodium magnesium EDTA
Identifiers:
SMILES:
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Mg+2].[Na+].[Na+]
InChI:
InChI=1S/C10H16N2O8.Mg.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);;;/q;+2;2*+1/p-4
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 | 358.50 g/mol | CAS Common Chemistry |
| 358.497 g/mol | RDKit | |
| 358.023945604 g/mol | RDKit | |
| Canonical SMILES | [Na+].O=C1[O-][Mg+2]2345[O-]C(=O)C[N]5(C1)CC[N]4(CC(=O)[O-]2)CC(=O)[O-]3 | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2O8.Mg.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);;;/q;+2;2*+1/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=AWNVVAMWLMUZOZ-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Magnesium disodium EDTA | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 167.0 Ų | RDKit |
| LogP | -13.782800000000009 | RDKit |
| Molar Refractivity | 58.66200000000002 | RDKit |
