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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
Names and Synonyms:
Trisodium Hedta
Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-, sodium salt (1:3)
Glycine, N-(carboxymethyl)-N′-(2-hydroxyethyl)-N,N′-ethylenedi-, trisodium salt
Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-, trisodium salt
N-(Carboxymethyl)-N′-(2-hydroxyethyl)-N,N′-ethylenediglycine trisodium salt
N-Hydroxyethylethylenediaminetriacetic acid trisodium salt
Monaquest ICA 120
Trisodium N-hydroxyethylethylenediamine-N,N′,N′-triacetate
N-(Hydroxyethyl)-N,N′,N′-ethylenediaminetriacetic acid trisodium salt
Trisodium N-(hydroxyethyl)ethylenediaminetriacetate
Trisodium salt N-hydroxyethylethylenediaminetriacetic acid
Detarol trisodium salt
Trisodium N-(2-hydroxyethyl)ethylenediamine-N,N′,N′-triacetate
Chemcolox 800
N-(2-Hydroxyethyl)-N,N′,N′-ethylenediaminetriacetic acid trisodium salt
Hamp-ol Crystals
Hamp-ol 120
Trisodium HEDTA
Perma Kleer 80
Perma Kleer 80 Crystals
Versenol 120
Chel DM 41
Trisodium N-(2-hydroxyethyl)ethylenediaminetriacetate
Sodium N-(2-hydroxylethyl)ethylenediamine-N,N′,N′-triacetate
Clewat OH 300
Trilon D
Chelest H
Hydroxyethylethylenediaminetriacetic acid trisodium salt
Clewat OH 35
Chelest HC
Dissolvine H 40
N-Hydroxyethyl ethylenediamine triacetate trisodium salt
Chelest HC-SD
Identifiers:
SMILES:
O=C(O)CN(CCO)CCN(CC(=O)O)CC(=O)O.[Na].[Na].[Na]
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);;;
Key Properties
Melting Point
288 °C (decomp)
CAS Common Chemistry
Density
1.29 g/cm³
CAS Common Chemistry
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 | 347.23 g/mol | CAS Common Chemistry |
| 347.231 g/mol | RDKit | |
| 347.08070875600004 g/mol | RDKit | |
| 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 |
| LogP | -3.305899999999995 | RDKit |
| Molar Refractivity | 80.13520000000003 | RDKit |
