Back to Search
Molecule
Trisodium Hedta
CAS: 139-89-9 · C10H18N2Na3O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 139-89-9
- Molecular Formula
- C10H18N2Na3O7
- Molecular Mass
- 347.23 g/mol
Identifiers
CAS Registry Number
139-89-9
SMILES
O=C(O)CN(CCO)CCN(CC(=O)O)CC(=O)O.[Na].[Na].[Na]
InChI Key
QNWUFUQSYAFXDJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H18N2O7.3Na/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;;
Names and Synonyms
- Trisodium Hedta Common Name
- Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-, sodium salt (1:3) Synonym
- Glycine, N-(carboxymethyl)-N′-(2-hydroxyethyl)-N,N′-ethylenedi-, trisodium salt Synonym
- Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-, trisodium salt Synonym
- N-(Carboxymethyl)-N′-(2-hydroxyethyl)-N,N′-ethylenediglycine trisodium salt Synonym
- N-Hydroxyethylethylenediaminetriacetic acid trisodium salt Synonym
- Monaquest ICA 120 Synonym
- Trisodium N-hydroxyethylethylenediamine-N,N′,N′-triacetate Synonym
- N-(Hydroxyethyl)-N,N′,N′-ethylenediaminetriacetic acid trisodium salt Synonym
- Trisodium N-(hydroxyethyl)ethylenediaminetriacetate Synonym
- Trisodium salt N-hydroxyethylethylenediaminetriacetic acid Synonym
- Detarol trisodium salt Synonym
- Trisodium N-(2-hydroxyethyl)ethylenediamine-N,N′,N′-triacetate Synonym
- Chemcolox 800 Synonym
- N-(2-Hydroxyethyl)-N,N′,N′-ethylenediaminetriacetic acid trisodium salt Synonym
- Hamp-ol Crystals Synonym
- Hamp-ol 120 Synonym
- Trisodium HEDTA Synonym
- Perma Kleer 80 Synonym
- Perma Kleer 80 Crystals Synonym
- Versenol 120 Synonym
- Chel DM 41 Synonym
- Trisodium N-(2-hydroxyethyl)ethylenediaminetriacetate Synonym
- Sodium N-(2-hydroxylethyl)ethylenediamine-N,N′,N′-triacetate Synonym
- Clewat OH 300 Synonym
- Trilon D Synonym
- Chelest H Synonym
- Hydroxyethylethylenediaminetriacetic acid trisodium salt Synonym
- Clewat OH 35 Synonym
- Chelest HC Synonym
- Dissolvine H 40 Synonym
- N-Hydroxyethyl ethylenediamine triacetate trisodium salt Synonym
- Chelest HC-SD Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 347.23 g/mol | CAS Common Chemistry |
| 347.231 g/mol | RDKit | |
| 350.255 g/mol | chempirical lib | |
| Density | 1.29 g/cm³ | CAS Common Chemistry |
| 1.285 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Na].O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C10H18N2O7.3Na/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;; | CAS Common Chemistry |
| InChI Key | InChIKey=QNWUFUQSYAFXDJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 288 °C (decomp) | CAS Common Chemistry |
| Name | Trisodium HEDTA | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 138.60999999999999 Ų | RDKit |
| 138.61 Ų | RDKit | |
| 138.15 Ų | chempirical lib | |
| LogP | -3.305899999999995 | RDKit |
| -3.3059 | RDKit | |
| Molar Refractivity | 80.13520000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 347.08070875600004 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 = 347.23 g/mol; density = 1.290 g/mL. Edit any field — others recompute live.
