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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
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-
Acetic acid, (ethylenedinitrilo)tetra-
N,N′-1,2-Ethanediylbis[N-(carboxymethyl)glycine]
Celon A
Celon ATH
Complexon II
3,6-Diazaoctanedioic acid, 3,6-bis(carboxymethyl)-
Edathamil
Edetic acid
EDTA (chelating agent)
Endrate
Ethylenediaminetetraacetic acid
Metaquest A
Nervanaid B acid
Nullapon B acid
Nullapon BF acid
Perma Kleer 50 acid
Sequestrene AA
Sequestric acid
Sequestrol
Trilon BW
Versene
Ethylenediamine-N,N,N′,N′-tetraacetic acid
Ethylenediaminetetraacetate
Acetic acid, 2,2′,2′′,2′′′-(1,2-ethanediyldinitrilo)tetrakis-
Ethylenedinitrilotetraacetic acid
Cheelox
Chemcolox 340
Titriplex
EDTA
Havidote
ICRF 185
Clewat TAA
Trilon BS
Gluma Cleanser
YD 30
Titriplex II
Chelest 3A
Dissolvine E
Quastal Special
Acroma DH 700
Techrun DO
NSC 97243
NSC 97404
Zonon AO
Dissolvine Z
Ethylene-N,N′-biscarboxymethyl-N,N′-diglycine
Sequestrene K 4
Clewat TTA
WS
WS (chelating agent)
Dotite 4H
PrefGel
Dissolvine NA-X
Chelest A
2,2′,2′′,2′′′-(ethane-1,2-diylbis(azanetriyl))tetraacetic acid
Kurewat-N
Disolvin NA 2-S
PM 17
[[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino]-acetic acid
OM 002
Ethylenediaminetetraaacetic acid
Circuposit 3350M1
2-([2-[Bis(carboxymethyl)amino]ethyl](carboxymethyl)amino)acetic acid
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 |
