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Ethylenediaminetetraacetic Acid
CAS: 60-00-4 | C10H16N2O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60-00-4
Molecular Formula:
C10H16N2O8
Molecular Weight:
292.244 g/mol
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
Identifiers:
SMILES:
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
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)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 292.24 g/mol | Legacy Database |
| density | 0.09 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ethylenediaminetetraacetic_acid None | Legacy Database |
| cas-canonical-smile | O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O None | Legacy Database |
| cas-density | 0.086 g/cm3 None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=KCXVZYZYPLLWCC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 245 °C None | Legacy Database |
| cas-name | Ethylenediaminetetraacetic acid None | Legacy Database |
| wikipedia-name | Ethylenediaminetetraacetic acid None | Legacy Database |
| LogP | -2.0711999999999957 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 292.244 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 292.09066547199996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 20 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 11 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 155.68 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 63.423200000000016 | RDKit |