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Molecule
Ethylenediaminetetraacetic Acid
CAS: 60-00-4 · C10H16N2O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 60-00-4
- Molecular Formula
- C10H16N2O8
- Molecular Mass
- 292.24 g/mol
Identifiers
CAS Registry Number
60-00-4
SMILES
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI Key
KCXVZYZYPLLWCC-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
Names and Synonyms
- Ethylenediaminetetraacetic Acid Synonym
- Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)- Synonym
- Acetic acid, (ethylenedinitrilo)tetra- Synonym
- N,N′-1,2-Ethanediylbis[N-(carboxymethyl)glycine] Synonym
- Celon A Synonym
- Celon ATH Synonym
- Complexon II Synonym
- 3,6-Diazaoctanedioic acid, 3,6-bis(carboxymethyl)- Synonym
- Edathamil Synonym
- Edetic acid Synonym
- EDTA (chelating agent) Synonym
- Endrate Synonym
- Ethylenediaminetetraacetic acid Synonym
- Metaquest A Synonym
- Nervanaid B acid Synonym
- Nullapon B acid Synonym
- Nullapon BF acid Synonym
- Perma Kleer 50 acid Synonym
- Sequestrene AA Synonym
- Sequestric acid Synonym
- Sequestrol Synonym
- Trilon BW Synonym
- Versene Synonym
- Ethylenediamine-N,N,N′,N′-tetraacetic acid Synonym
- Ethylenediaminetetraacetate Synonym
- Acetic acid, 2,2′,2′′,2′′′-(1,2-ethanediyldinitrilo)tetrakis- Synonym
- Ethylenedinitrilotetraacetic acid Synonym
- Cheelox Synonym
- Chemcolox 340 Synonym
- Titriplex Synonym
- EDTA Synonym
- Havidote Synonym
- ICRF 185 Synonym
- Clewat TAA Synonym
- Trilon BS Synonym
- Gluma Cleanser Synonym
- YD 30 Synonym
- Titriplex II Synonym
- Chelest 3A Synonym
- Dissolvine E Synonym
- Quastal Special Synonym
- Acroma DH 700 Synonym
- Techrun DO Synonym
- NSC 97243 Synonym
- NSC 97404 Synonym
- Zonon AO Synonym
- Dissolvine Z Synonym
- Ethylene-N,N′-biscarboxymethyl-N,N′-diglycine Synonym
- Sequestrene K 4 Synonym
- Clewat TTA Synonym
- WS Synonym
- WS (chelating agent) Synonym
- Dotite 4H Synonym
- PrefGel Synonym
- Dissolvine NA-X Synonym
- Chelest A Synonym
- 2,2′,2′′,2′′′-(ethane-1,2-diylbis(azanetriyl))tetraacetic acid Synonym
- Kurewat-N Synonym
- Disolvin NA 2-S Synonym
- PM 17 Synonym
- [[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino]-acetic acid Synonym
- OM 002 Synonym
- Ethylenediaminetetraaacetic acid Synonym
- Circuposit 3350M1 Synonym
- 2-([2-[Bis(carboxymethyl)amino]ethyl](carboxymethyl)amino)acetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 292.24 g/mol | CAS Common Chemistry |
| 292.244 g/mol | RDKit | |
| Density | 0.09 g/cm³ | CAS Common Chemistry |
| 0.086 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethylenediaminetetraacetic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) | CAS Common Chemistry |
| InChI Key | InChIKey=KCXVZYZYPLLWCC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 245 °C | CAS Common Chemistry |
| Name | Ethylenediaminetetraacetic acid | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 155.68 Ų | RDKit |
| 155.22 Ų | chempirical lib | |
| LogP | -2.0711999999999957 | RDKit |
| -2.0712 | RDKit | |
| Molar Refractivity | 63.423200000000016 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 292.09066547199996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 292.24 g/mol; density = 0.090 g/mL. Edit any field — others recompute live.
