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Molecule
Dipotassium Edta
CAS: 2001-94-7 · C10H16K2N2O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2001-94-7
- Molecular Formula
- C10H16K2N2O8
- Molecular Mass
- 370.44 g/mol
Identifiers
CAS Registry Number
2001-94-7
SMILES
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[K].[K]
InChI Key
MGDKBCNOUDORNI-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2O8.2K/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);;
Names and Synonyms
- Dipotassium Edta Common Name
- Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, potassium salt (1:2) Synonym
- Acetic acid, (ethylenedinitrilo)tetra-, dipotassium salt Synonym
- Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, dipotassium salt Synonym
- Dipotassium EDTA Synonym
- EDTA dipotassium salt Synonym
- Dipotassium ethylenediaminetetraacetate Synonym
- Chelaplex II Synonym
- EDTA-2K Synonym
- Ethylenediaminetetraacetic acid dipotassium salt Synonym
- Dipotassium edetate Synonym
- Potassium EDTA Synonym
- Edetate Dipotassium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 370.44 g/mol | CAS Common Chemistry |
| 370.44000000000005 g/mol | RDKit | |
| 372.456 g/mol | chempirical lib | |
| Canonical SMILES | [K].O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2O8.2K/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=MGDKBCNOUDORNI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dipotassium EDTA | 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 |
| 155.22 Ų | chempirical lib | |
| LogP | -2.8327999999999953 | RDKit |
| -2.8328 | RDKit | |
| Molar Refractivity | 74.93120000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 370.0180788319999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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 = 370.44 g/mol. Edit any field — others recompute live.
