Back to Search
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
Names and Synonyms:
Dipotassium Edta
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, potassium salt (1:2)
Acetic acid, (ethylenedinitrilo)tetra-, dipotassium salt
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, dipotassium salt
Dipotassium EDTA
EDTA dipotassium salt
Dipotassium ethylenediaminetetraacetate
Chelaplex II
EDTA-2K
Ethylenediaminetetraacetic acid dipotassium salt
Dipotassium edetate
Potassium EDTA
Edetate Dipotassium
Identifiers:
SMILES:
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[K].[K]
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);;
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 | 370.44 g/mol | CAS Common Chemistry |
| 370.44000000000005 g/mol | RDKit | |
| 370.0180788319999 g/mol | RDKit | |
| 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 |
| LogP | -2.8327999999999953 | RDKit |
| Molar Refractivity | 74.93120000000003 | RDKit |
