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Eddha
CAS: 1170-02-1 | C18H20N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1170-02-1
Molecular Formula:
C18H20N2O6
Molecular Mass:
360.37 g/mol
Names and Synonyms:
Eddha
Benzeneacetic acid, α,α′-(1,2-ethanediyldiimino)bis[2-hydroxy-
Glycine, N,N′-ethylenebis[2-(o-hydroxyphenyl)-
α,α′-(1,2-Ethanediyldiimino)bis[2-hydroxybenzeneacetic acid]
CHEL 138
EDDHA
EDHPA
N,N′-Ethylenebis[2-(o-hydroxyphenyl)]glycine
Ethylenediaminebis(o-hydroxyphenylacetic acid)
Chel DP
Ethylenediaminedi-o-hydroxyphenylacetic acid
Ethylenediamine-N,N′-bis(o-hydroxyphenylacetic acid)
Ethylenediamine-N,N′-bis[α-(2-hydroxyphenyl)acetic acid
Ethylenediamine-N,N′-bis(2-hydroxyphenylacetic acid)
Ethylenediamine-N,N′-di[o-hydroxyphenylacetic acid]
EDBPHA
Ethylenebis[(o-hydroxyphenyl)glycine]
(2,2′-Ethylenediimino)bis[(2-hydroxyphenyl)acetic acid]
N,N′-Ethylenebis(o-hydroxyphenylglycine)
Ethylenediaminebis(2-hydroxyphenylacetic acid)
704A
Ethylenediamine-N,N′-bis(2-hydroxyphenylacetic acid)
Identifiers:
SMILES:
O=C(O)C(NCCNC(C(=O)O)c1ccccc1O)c1ccccc1O
InChI:
InChI=1S/C18H20N2O6/c21-13-7-3-1-5-11(13)15(17(23)24)19-9-10-20-16(18(25)26)12-6-2-4-8-14(12)22/h1-8,15-16,19-22H,9-10H2,(H,23,24)(H,25,26)
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 | 360.37 g/mol | CAS Common Chemistry |
| 360.3660000000001 g/mol | RDKit | |
| 360.13213635999995 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/EDDHA | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(NCCNC(C(=O)O)C=1C=CC=CC1O)C=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C18H20N2O6/c21-13-7-3-1-5-11(13)15(17(23)24)19-9-10-20-16(18(25)26)12-6-2-4-8-14(12)22/h1-8,15-16,19-22H,9-10H2,(H,23,24)(H,25,26) | CAS Common Chemistry |
| InChI Key | InChIKey=PZZHMLOHNYWKIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethylenediaminedi-o-hydroxyphenylacetic acid | CAS Common Chemistry |
| EDDHA | CAS Common Chemistry | |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 139.12 Ų | RDKit |
| LogP | 1.2286000000000001 | RDKit |
| Molar Refractivity | 92.97260000000004 | RDKit |
