Back to Search
Molecule
Trisodium Edta
CAS: 150-38-9 · C10H16N2Na3O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 150-38-9
- Molecular Formula
- C10H16N2Na3O8
- Molecular Mass
- 361.21 g/mol
Identifiers
CAS Registry Number
150-38-9
SMILES
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na].[Na].[Na]
InChI Key
BTKOPDXMVKYSNL-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2O8.3Na/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);;;
Names and Synonyms
- Trisodium Edta Synonym
- Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, sodium salt (1:3) Synonym
- Acetic acid, (ethylenedinitrilo)tetra-, trisodium salt Synonym
- Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, trisodium salt Synonym
- EDTA trisodium salt Synonym
- Perma Kleer 50, trisodium salt Synonym
- Sequestrene trisodium Synonym
- Sequestrene trisodium salt Synonym
- Trilon AO Synonym
- Trisodium edetate Synonym
- Trisodium hydrogen ethylenediaminetetraacetate Synonym
- Trisodium hydrogen (ethylenedinitrilo)tetraacetate Synonym
- Trisodium versenate Synonym
- Versene 9 Synonym
- Ethylenediaminetetraacetic acid trisodium salt Synonym
- Nevanaid-B powder Synonym
- Trisodium ethylenediaminetetraacetate Synonym
- Sequestrene Na3 Synonym
- Edetate trisodium Synonym
- Trisodium EDTA Synonym
- Clewat 300A Synonym
- Trisodium ETDA Synonym
- Chelest C Synonym
- Limclair Synonym
- Sequestrene NA 3T Synonym
- EDTA-3Na Synonym
- Chelest 2CS Synonym
- Chelate C Synonym
- Zonon T Synonym
- Chelest 2C-SD Synonym
- Clewat 3Na Synonym
- EDTA trisodium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 361.21 g/mol | CAS Common Chemistry |
| 361.21400000000006 g/mol | RDKit | |
| 361.214 g/mol | RDKit | |
| 364.238 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2O8.3Na/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);;; | CAS Common Chemistry |
| InChI Key | InChIKey=BTKOPDXMVKYSNL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | Trisodium EDTA | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 155.68 Ų | RDKit |
| 155.22 Ų | chempirical lib | |
| LogP | -3.213599999999995 | RDKit |
| -3.2136 | RDKit | |
| Molar Refractivity | 80.68520000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 361.059973312 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 361.21 g/mol. Edit any field — others recompute live.
