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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 Mass:
374.27 g/mol
Names and Synonyms:
Calcium Disodium Edta
Calciate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium (1:2), (OC-6-21)-
Calciate(2-), [(ethylenedinitrilo)tetraacetato]-, disodium
Calciate(2-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N′,O,O′,ON,ON′]-, disodium, (OC-6-21)-
Disodium [(ethylenedinitrilo)tetraacetato]calciate
Calciate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, disodium, (OC-6-21)-
Calcium disodium EDTA
Calcium disodium ethylenediaminetetraacetate
Edathamil calcium disodium
Sodium calcium edetate
Calcium disodium Versenate
Calcium EDTA
Disodium calcium EDTA
Disodium calcium ethylenediaminetetraacetate
EDTA calcium disodium salt
Edetamin
Calcium sodium edetate
Calcium disodium edetate
Calcium sodium EDTA
Calcium disodium edathamil
Edetate calcium
Monocalcium disodium EDTA
Tetacin-calcium
Ethylenediaminetetraacetic acid calcium disodium salt
(Ethylenedinitrilo)tetraacetic acid calcium disodium salt
Calcitetracemate disodium
Calcium disodium (ethylenedinitrilo)tetraacetate
Edetic acid calcium disodium salt
Mosatil
Antallin
Sormetal
EDTA disodium calcium salt
Ethylenediaminetetraacetic acid calcium sodium salt (1:1:2)
Edtacal
Tetazine
Tetacin
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, calcium sodium salt (1:1:2)
Disodium monocalcium EDTA
Adsorbonac
Calcium titriplex
Edetamine
Ledclair
Versene CA
Ethylenediaminetetraacetic acid disodium monocalcium salt
Calcium disodium ethylenediaminetetraacetic acid
EDTA calcium
Edathamiol calcium disodium
Edetate calcium disodium
NSC 310151
Disodium calcium edetate
Detoxamin
EDTA disodium calcium
calcium EDTA disodium salt
disodium EDTA calcium
EDTA-Ca
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 374.27 g/mol | CAS Common Chemistry |
| 374.001494884 g/mol | RDKit | |
| Canonical SMILES | [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 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=SHWNNYZBHZIQQV-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Calcium disodium 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 | -13.782800000000009 | RDKit |
| Molar Refractivity | 58.66200000000002 | RDKit |
