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Disodium Zinc Edta
CAS: 14025-21-9 | C10H12N2Na2O8Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14025-21-9
Molecular Formula:
C10H12N2Na2O8Zn
Molecular Mass:
399.58 g/mol
Names and Synonyms:
Disodium Zinc Edta
Zincate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium (1:2), (OC-6-21)-
Zincate(2-), [(ethylenedinitrilo)tetraacetato]-, disodium
Zincate(2-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N′,O,O′,ON,ON′]-, disodium, (OC-6-21)-
Sodium [(ethylenedinitrilo)tetraacetato]zincate
Zincate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, disodium, (OC-6-21)-
Zinc disodium EDTA
Zinc disodium ethylenediaminetetraacetate
EDTA disodium zinc salt
Disodium zinc EDTA
Sequestrene NA 2ZN
Zinc disodium ethylenedinitrilotetraacetate
Disodium zinc ethylenediaminetetraacetate
EDTA zinc disodium salt
Disodium (ethylenediaminetetraacetato)zincate(2-)
Dissolvine E-Zn 15
Chelest Zn 40
Sodium zinc edetate
sodium zinc EDTA,
EDTA zinc sodium salt
EDTA disodium zinc
zinc EDTA disodium salt
Disodium EDTA zinc
Identifiers:
SMILES:
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Zn+2]
InChI:
InChI=1S/C10H16N2O8.2Na.Zn/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*+1;+2/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 | 399.58 g/mol | CAS Common Chemistry |
| 399.582 g/mol | RDKit | |
| 397.968046104 g/mol | RDKit | |
| Canonical SMILES | [Na+].O=C1[O-][Zn+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/C10H16N2O8.2Na.Zn/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*+1;+2/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=UBLOJEHIINPTTG-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Disodium zinc 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 | -13.404500000000008 | RDKit |
| Molar Refractivity | 52.90800000000002 | RDKit |
