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Diammonium Edta
CAS: 20824-56-0 | C10H22N4O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20824-56-0
Molecular Formula:
C10H22N4O8
Molecular Mass:
326.31 g/mol
Names and Synonyms:
Diammonium Edta
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, ammonium salt (1:2)
Acetic acid, (ethylenedinitrilo)tetra-, diammonium salt
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, diammonium salt
Diammonium dihydrogen ethylenediaminetetraacetate
Diammonium EDTA
EDTA diammonium salt
Diammonium ethylenediaminetetraacetate
Diammonium ethylenediaminetetraacetic acid
Dissolvine AM 2-45
Ethylenediaminetetraacetic acid diammonium salt
Trilon BAD
Identifiers:
SMILES:
N.N.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI:
InChI=1S/C10H16N2O8.2H3N/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);2*1H3
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 | 326.31 g/mol | CAS Common Chemistry |
| 326.30600000000004 g/mol | RDKit | |
| 326.14376366399995 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2O8.2H3N/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);2*1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KYQODXQIAJFKPH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diammonium EDTA | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 225.67999999999995 Ų | RDKit |
| LogP | -1.747199999999995 | RDKit |
| Molar Refractivity | 73.46740000000003 | RDKit |
