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Hydroxyethylethylenediaminetriacetic Acid
CAS: 150-39-0 | C10H18N2O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 150-39-0
- Molecular Formula
- C10H18N2O7
- Molecular Mass
- 278.26 g/mol
Identifiers
CAS Registry Number
150-39-0
SMILES
O=C(O)CN(CCO)CCN(CC(=O)O)CC(=O)O
InChI Key
URDCARMUOSMFFI-UHFFFAOYSA-N
InChI
InChI=1S/C10H18N2O7/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
- Hydroxyethylethylenediaminetriacetic Acid Common Name
- Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)- Synonym
- Hamp-OL Synonym
- Dissolvine H Synonym
- NSC 7341 Synonym
- Chelest HA Synonym
- 2-[2-[Bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid Synonym
- Glycine, N-(carboxymethyl)-N′-(2-hydroxyethyl)-N,N′-ethylenedi- Synonym
- N-[2-[Bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)glycine Synonym
- Chel DM Acid Synonym
- HEDTA Synonym
- HEEDTA Synonym
- N-(2-Hydroxyethyl)ethylenediaminetriacetic acid Synonym
- N′-(2-Hydroxyethyl)ethylenediamine-N,N,N′-triacetic acid Synonym
- (Hydroxyethyl)ethylenediaminetriacetic acid Synonym
- Hydroxyethylethylenediaminotriacetic acid Synonym
- N-(Hydroxyethyl)ethylenediaminetriacetic acid Synonym
- N-(Hydroxyethyl)ethylenediamine-N,N′,N′-triacetic acid Synonym
- N-(2-Hydroxyethyl)ethylenediamine-N,N′,N′-triacetic acid Synonym
- (2-Hydroxyethyl)ethylenediaminetriacetic acid Synonym
- Oxyethylethylenediaminetriacetic acid Synonym
- Detarol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.26 g/mol | CAS Common Chemistry |
| 278.26099999999997 g/mol | RDKit | |
| 278.261 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hydroxyethylethylenediaminetriacetic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C10H18N2O7/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=URDCARMUOSMFFI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 159 °C | CAS Common Chemistry |
| Name | HEDTA | CAS Common Chemistry |
| Hydroxyethylethylenediaminetriacetic acid | CAS Common Chemistry | |
| Heavy Atom Count | 19 | 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 | -2.1634999999999964 | RDKit |
| -2.1635 | RDKit | |
| Molar Refractivity | 62.873200000000026 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 278.111400916 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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Related
Related molecules
Other compounds with formula C10H18N2O7.
