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Molecule
Disodium Edta Dihydrate
CAS: 6381-92-6 · C10H20N2Na2O10
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6381-92-6
- Molecular Formula
- C10H20N2Na2O10
- Molecular Mass
- 374.25 g/mol
Identifiers
CAS Registry Number
6381-92-6
SMILES
O.O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na].[Na]
InChI Key
FXKZPKBFTQUJBA-UHFFFAOYSA-N
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
Names and Synonyms
- Disodium Edta Dihydrate Common Name
- Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, sodium salt, hydrate (1:2:2) Synonym
- Acetic acid, (ethylenedinitrilo)tetra-, disodium salt, dihydrate Synonym
- Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, disodium salt, dihydrate Synonym
- Disodium dihydrogen ethylenediaminetetraacetate dihydrate Synonym
- Disodium EDTA dihydrate Synonym
- Disodium ethylenediaminetetraacetate dihydrate Synonym
- Ethylenediaminetetraacetic acid disodium salt dihydrate Synonym
- Disodium edetate dihydrate Synonym
- Chelest F-NA Synonym
- Edetate disodium dihydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethylenediaminetetraacetic_acid | CAS Common Chemistry |
| Molecular Mass | 374.25 g/mol | CAS Common Chemistry |
| 374.2540000000001 g/mol | RDKit | |
| 374.254 g/mol | RDKit | |
| 376.27 g/mol | chempirical lib | |
| 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 |
| 218.68 Ų | RDKit | |
| LogP | -4.4821999999999935 | RDKit |
| -4.4822 | RDKit | |
| Molar Refractivity | 82.15880000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 374.0913334 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.
External Resources
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MW = 374.25 g/mol. Edit any field — others recompute live.
