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Molecule
Magnesium Disodium Edta
CAS: 14402-88-1 · C10H12MgN2Na2O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14402-88-1
- Molecular Formula
- C10H12MgN2Na2O8
- Molecular Mass
- 358.50 g/mol
Identifiers
CAS Registry Number
14402-88-1
SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Mg+2].[Na+].[Na+]
InChI Key
AWNVVAMWLMUZOZ-UHFFFAOYSA-J
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
Names and Synonyms
- Magnesium Disodium Edta Common Name
- Magnesate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium (1:2), (OC-6-21)- Synonym
- Magnesate(2-), [(ethylenedinitrilo)tetraacetato]-, disodium Synonym
- Magnesate(2-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N′,O,O′,ON,ON′]-, disodium, (OC-6-21)- Synonym
- Sodium [(ethylenedinitrilo)tetraacetato]magnesate Synonym
- Magnesate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, disodium, (OC-6-21)- Synonym
- Magnesium disodium EDTA Synonym
- Disodium magnesium ethylenediaminetetraacetate Synonym
- Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, magnesium disodium salt Synonym
- Magnesium disodium ethylenediaminetetraacetate Synonym
- Magnesium disodium ethylenediaminetetraacetic acid Synonym
- Chelest Mg 40 Synonym
- Mg 40 Synonym
- EDTA disodium magnesium Synonym
- magnesium EDTA disodium salt Synonym
- EDTA magnesium disodium salt Synonym
- disodium EDTA magnesium Synonym
- disodium magnesium EDTA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 358.50 g/mol | CAS Common Chemistry |
| 358.497 g/mol | RDKit | |
| 366.561 g/mol | chempirical lib | |
| 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 |
| -13.7828 | RDKit | |
| Molar Refractivity | 58.66200000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 358.023945604 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 358.50 g/mol. Edit any field — others recompute live.
