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Molecule
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
Identifiers
CAS Registry Number
20824-56-0
SMILES
N.N.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI Key
KYQODXQIAJFKPH-UHFFFAOYSA-N
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
Names and Synonyms
- Diammonium Edta Synonym
- Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, ammonium salt (1:2) Synonym
- Acetic acid, (ethylenedinitrilo)tetra-, diammonium salt Synonym
- Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, diammonium salt Synonym
- Diammonium dihydrogen ethylenediaminetetraacetate Synonym
- Diammonium EDTA Synonym
- EDTA diammonium salt Synonym
- Diammonium ethylenediaminetetraacetate Synonym
- Diammonium ethylenediaminetetraacetic acid Synonym
- Dissolvine AM 2-45 Synonym
- Ethylenediaminetetraacetic acid diammonium salt Synonym
- Trilon BAD Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 326.31 g/mol | CAS Common Chemistry |
| 326.30600000000004 g/mol | RDKit | |
| 326.306 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 |
| 225.68 Ų | RDKit | |
| LogP | -1.747199999999995 | RDKit |
| -1.7472 | RDKit | |
| Molar Refractivity | 73.46740000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 326.14376366399995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
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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.
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MW = 326.31 g/mol. Edit any field — others recompute live.
