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Molecule
Eddha
CAS: 1170-02-1 · C18H20N2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1170-02-1
- Molecular Formula
- C18H20N2O6
- Molecular Mass
- 360.37 g/mol
Identifiers
CAS Registry Number
1170-02-1
SMILES
O=C(O)C(NCCNC(C(=O)O)c1ccccc1O)c1ccccc1O
InChI Key
PZZHMLOHNYWKIK-UHFFFAOYSA-N
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)
Names and Synonyms
- Eddha Common Name
- Benzeneacetic acid, α,α′-(1,2-ethanediyldiimino)bis[2-hydroxy- Synonym
- Glycine, N,N′-ethylenebis[2-(o-hydroxyphenyl)- Synonym
- α,α′-(1,2-Ethanediyldiimino)bis[2-hydroxybenzeneacetic acid] Synonym
- CHEL 138 Synonym
- EDDHA Synonym
- EDHPA Synonym
- N,N′-Ethylenebis[2-(o-hydroxyphenyl)]glycine Synonym
- Ethylenediaminebis(o-hydroxyphenylacetic acid) Synonym
- Chel DP Synonym
- Ethylenediaminedi-o-hydroxyphenylacetic acid Synonym
- Ethylenediamine-N,N′-bis(o-hydroxyphenylacetic acid) Synonym
- Ethylenediamine-N,N′-bis[α-(2-hydroxyphenyl)acetic acid Synonym
- Ethylenediamine-N,N′-bis(2-hydroxyphenylacetic acid) Synonym
- Ethylenediamine-N,N′-di[o-hydroxyphenylacetic acid] Synonym
- EDBPHA Synonym
- Ethylenebis[(o-hydroxyphenyl)glycine] Synonym
- (2,2′-Ethylenediimino)bis[(2-hydroxyphenyl)acetic acid] Synonym
- N,N′-Ethylenebis(o-hydroxyphenylglycine) Synonym
- Ethylenediaminebis(2-hydroxyphenylacetic acid) Synonym
- 704A Synonym
- Ethylenediamine-N,N′-bis(2-hydroxyphenylacetic acid) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 360.37 g/mol | CAS Common Chemistry |
| 360.3660000000001 g/mol | RDKit | |
| 360.366 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 |
| 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 |
| 1.2286 | RDKit | |
| Molar Refractivity | 92.97260000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 360.13213635999995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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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.
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MW = 360.37 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H20N2O6.
