Back to Search
Calcium Disodium Edta
CAS: 62-33-9 | C10H12CaN2Na2O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
62-33-9
Molecular Formula:
C10H12CaN2Na2O8
Molecular Weight:
374.27 g/mol
Names and Synonyms:
Calcium Disodium Edta
Synonym
Calciate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium (1:2), (OC-6-21)-
Synonym
Calciate(2-), [(ethylenedinitrilo)tetraacetato]-, disodium
Synonym
Calciate(2-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N′,O,O′,ON,ON′]-, disodium, (OC-6-21)-
Synonym
Disodium [(ethylenedinitrilo)tetraacetato]calciate
Synonym
Calciate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, disodium, (OC-6-21)-
Synonym
Calcium disodium EDTA
Synonym
Calcium disodium ethylenediaminetetraacetate
Synonym
Edathamil calcium disodium
Synonym
Sodium calcium edetate
Synonym
Calcium disodium Versenate
Synonym
Calcium EDTA
Synonym
Disodium calcium EDTA
Synonym
Disodium calcium ethylenediaminetetraacetate
Synonym
EDTA calcium disodium salt
Synonym
Edetamin
Synonym
Calcium sodium edetate
Synonym
Calcium disodium edetate
Synonym
Calcium sodium EDTA
Synonym
Calcium disodium edathamil
Synonym
Edetate calcium
Synonym
Monocalcium disodium EDTA
Synonym
Tetacin-calcium
Synonym
Ethylenediaminetetraacetic acid calcium disodium salt
Synonym
(Ethylenedinitrilo)tetraacetic acid calcium disodium salt
Synonym
Calcitetracemate disodium
Synonym
Calcium disodium (ethylenedinitrilo)tetraacetate
Synonym
Edetic acid calcium disodium salt
Synonym
Mosatil
Synonym
Antallin
Synonym
Sormetal
Synonym
EDTA disodium calcium salt
Synonym
Ethylenediaminetetraacetic acid calcium sodium salt (1:1:2)
Synonym
Edtacal
Synonym
Tetazine
Synonym
Tetacin
Synonym
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, calcium sodium salt (1:1:2)
Synonym
Disodium monocalcium EDTA
Synonym
Adsorbonac
Synonym
Calcium titriplex
Synonym
Edetamine
Synonym
Ledclair
Synonym
Versene CA
Synonym
Ethylenediaminetetraacetic acid disodium monocalcium salt
Synonym
Calcium disodium ethylenediaminetetraacetic acid
Synonym
EDTA calcium
Synonym
Edathamiol calcium disodium
Synonym
Edetate calcium disodium
Synonym
NSC 310151
Synonym
Disodium calcium edetate
Synonym
Detoxamin
Synonym
EDTA disodium calcium
Synonym
calcium EDTA disodium salt
Synonym
disodium EDTA calcium
Synonym
EDTA-Ca
Synonym
Identifiers:
SMILES:
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+]
InChI:
InChI=1S/C10H16N2O8.Ca.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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 374.27 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 374.001494884 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 23 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 10 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 11 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 167.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -13.782800000000009 | RDKit |
| molecular_mass | 374.27 g/mol | Legacy Database |
| cas-canonical-smile | [Na+].O=C1[O-][Ca+2]2345[O-]C(=O)C[N]5(C1)CC[N]4(CC(=O)[O-]2)CC(=O)[O-]3 None | Legacy Database |
| cas-inchi | InChI=1S/C10H16N2O8.Ca.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 None | Legacy Database |
| cas-inchi-key | InChIKey=SHWNNYZBHZIQQV-UHFFFAOYSA-J None | Legacy Database |
| cas-name | Calcium disodium EDTA None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 58.66200000000002 | RDKit |