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(2-Hydroxyethyl)Iminodiacetic Acid
CAS: 93-62-9 | C6H11NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
93-62-9
Molecular Formula:
C6H11NO5
Molecular Mass:
177.16 g/mol
Names and Synonyms:
(2-Hydroxyethyl)Iminodiacetic Acid
Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-
Acetic acid, [(2-hydroxyethyl)imino]di-
N-(Carboxymethyl)-N-(2-hydroxyethyl)glycine
N-(2-Hydroxyethyl)iminodiacetic acid
[(β-Hydroxyethyl)imino]diacetic acid
(2-Hydroxyethyl)iminodiacetic acid
HEIDA
N-(β-Hydroxyethyl)iminodiacetic acid
Ethanolamine-N,N-diacetic acid
HIMDA
NSC 18474
Chelest EA
Ethanoldiglycine
HIDA
Ethanoldiglycinic acid
2-[(Carboxymethyl)(2-hydroxyethyl)amino]acetic acid
2-[Carboxymethyl(2-hydroxyethyl)amino]acetic acid
Identifiers:
SMILES:
O=C(O)CN(CCO)CC(=O)O
InChI:
InChI=1S/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12)
Key Properties
Melting Point
170-172 °C
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 | 177.16 g/mol | CAS Common Chemistry |
| 177.15599999999998 g/mol | RDKit | |
| 177.063722452 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CN(CC(=O)O)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=JYXGIOKAKDAARW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170-172 °C | CAS Common Chemistry |
| Name | (2-Hydroxyethyl)iminodiacetic acid | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 98.07000000000001 Ų | RDKit |
| LogP | -1.5500999999999991 | RDKit |
| Molar Refractivity | 38.7974 | RDKit |
