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Disodium Ethylenediaminetetraacetate
CAS: 139-33-3 | C10H16N2Na2O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
139-33-3
Molecular Formula:
C10H16N2Na2O8
Molecular Weight:
338.22400000000005 g/mol
Names and Synonyms:
Disodium Ethylenediaminetetraacetate
EDTA•Na2
Chelest 2B-SD
Ethylenedinitrilotetraacetate disodium
VRP 1034
Dissolvine Na 2x
Dissolvine Na 2T
Dissolvine Na2S
Edeta BD
Nervanaid Ba2
Idranal III
TW 204
Chelest 2BS
Dissolvine Na2
Salina
Clewat N 2
Disodium edathamil
Versene disodium salt
Tetracemate disodium
Versonol 120
Clewat N
Chelest 200
Mavacid ED 4
Komplexon III
EDTA disodium salt
Khelaton 3
Dotite 2NA
Disodium ethylenediaminetetraacetic acid salt
Zonon D
Chelaplex
Chelaton III
Chelest B
Trilon BD
Disodium ethylenediamine-N,N,N′,N′-tetraacetate
Sequestrene Na2
Versene Na2
Versene NA
Perma Kleer Di Crystals
Titriplex III
F 1
Sodium versenate
Selekton B2
F 1 (complexon)
Disodium tetracemate
Disodium versenate
Ethylenediaminetetraacetic acid disodium salt
Chelaplex III
Triplex III
Metaquest B
Endrate disodium
Edetate Disodium
Edathamil disodium
Disodium versene
Disodium sequestrene
Disodium (ethylenedinitrilo)tetraacetate
Disodium ethylenediaminetetraacetate
Disodium EDTA
Disodium edetate
Disodium dihydrogen ethylenediaminetetraacetate
Disodium diacid ethylenediaminetetraacetate
Complexon III
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, disodium salt
Acetic acid, (ethylenedinitrilo)tetra-, disodium salt
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, sodium salt (1:2)
Identifiers:
SMILES:
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na].[Na]
InChI:
InChI=1S/C10H16N2O8.2Na/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);;
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 338.22400000000005 g/mol | RDKit |
| Exact | Exact Molecular Weight | 338.070204032 g/mol | RDKit |
| Heavy | Heavy Atom Count | 22 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit | |
| Rotatable | Rotatable Bonds | 11 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 155.68 Ų | RDKit |
| Physical Properties | LogP | -2.8327999999999953 | RDKit |
| molecular_mass | 338.22 g/mol | Legacy Database | |
| cas-canonical-smile | [Na].O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O | Legacy Database | |
| cas-inchi | InChI=1S/C10H16N2O8.2Na/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);; | Legacy Database | |
| cas-inchi-key | InChIKey=BDOYKFSQFYNPKF-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 252 °C (decomp) | Legacy Database | |
| cas-name | Disodium ethylenediaminetetraacetate | Legacy Database | |
| Molar | Molar Refractivity | 74.93120000000003 | RDKit |
