Structure & Deep Data of EDTA (C10H16N2O8)
Identification of EDTA Chemical Compound
Chemical Formula | C10H16N2O8 |
---|---|
Molecular Weight | 292.24264 g/mol |
IUPAC Name | 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid |
SMILES String | OC(=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) |
InChIKey | KCXVZYZYPLLWCC-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The EDTA molecule contains a total of 35 bond(s). There are 19 non-H bond(s), 4 multiple bond(s), 11 rotatable bond(s), 4 double bond(s), 4 carboxylic acid(s) (aliphatic), 2 tertiary amine(s) (aliphatic), and 4 hydroxyl group(s). Images of the chemical structure of EDTA are given below:
The 2D chemical structure image of EDTA is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of EDTA are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of EDTA is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of EDTA. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of EDTA is provided here.
The EDTA molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the EDTA molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of EDTA can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying EDTA Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of EDTA
The SMILES string of EDTA is OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the EDTA.
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Structure Data File (SDF/MOL File) of EDTA
The structure data file (SDF/MOL File) of EDTA is available for download in the SDF page of EDTA, which provides the information about the atoms, bonds, connectivity and coordinates of EDTA. The EDTA structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of EDTA
The molecular formula of EDTA is available in chemical formula page of EDTA, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of EDTA
The molecular weight of EDTA is available in molecular weight page of EDTA, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of EDTA
The EDTA compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of EDTA including the various registry numbers, if available:
- 62-33-9
- Ethylenediaminetetraacetic acid, anhydrous, free-flowing, powder, Redi-Dri(TM), ACS reagent, 99.4-100.6%
- Ethylenediaminetetraacetic acid, anhydrous, crystalline, BioReagent, suitable for cell culture
- Ethylenediaminetetraacetic acid solution, BioUltra, for molecular biology, pH 8.0, ~0.5 M in H2O
- Ethylenediaminetetraacetic acid solution, 0.02% in DPBS (0.5 mM), sterile-filtered, BioReagent, suitable for cell culture
- 94108-75-5
- 675141-16-9
- 402925-67-1
- 32757-10-1
- 30485-90-6
- 30485-88-2
- 30485-87-1
- 26627-46-3
- 20539-27-9
- 161122-33-4
- 13440-78-3
- Ethylenediaminetetraacetic acid, anhydrous, free-flowing, Redi-Dri(TM), >=98%
- EDTA|Ethylenediaminetetraacetic acid|N,N'-1,2-Ethanediylbis[N-(carboxymethyl)]glycine
- 2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
- {[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid(EDTA)
- Glycine, N,N'-1, {2-ethanediylbis[N-(carboxymethyl)-,} disodium salt
- Ethylenediaminetetraacetic acid, BioUltra, anhydrous, >=99% (titration)
- Ethylenediaminetetraacetic acid, 0.5M aqueous solution, pH 8.0, autoclaved
- 2,2'',2'''',2''''''-(ethane-1,2-diylbis(azanetriyl))tetraacetic acid
- Ethylenediaminetetraacetic acid, purified grade, >=98.5%, powder
- Ethylenediaminetetraacetic acid, ACS reagent, 99.4-100.6%, powder
- Edetic acid; EDTA; (Ethylenedinitrilo)tetraacetic acid; Edathamil
- Edetic acid, United States Pharmacopeia (USP) Reference Standard
- [{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]acetic acid
- Ethylenediaminetetraacetic acid, Vetec(TM) reagent grade, 98%
- Ethylenediaminetetraacetic acid, SAJ special grade, >=99.0%
- Ethylenediaminetetraacetic acid, 99.995% trace metals basis
- Ethylenediaminetetraacetic acid, 0.5M aq. solution, pH 8.0
- Ethylenediaminetetraacetic acid, BioUltra, >=99.0% (KT)
- 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate
- Z2688689169
- I14-19418
- Ethylenediaminetetraacetic acid, Electrophoresis Grade
- 37C3C5E7-D921-445F-82D6-FEBF1AE5AEF5
- SR-01000883946-1
- I04-0860
- Ethylenediaminetetraacetic acid, Cell Culture Reagent
- A832566
- 6381-92-6 (di-hydrochloride salt, di-hydrate)
- Ethylenediaminetetraacetic acid, >=98.0% (KT)
- Ethylenediaminetetraacetic acid solution, 0.02 N
- Ethylenediaminetetraacetic acid, p.a., 98.0%
- D00052
- (ethylenedinitrilo)tetraacetic acid, ion(4-)
- Ethylenediaminetetraacetic acid, LR, >=98%
- Ethylenediaminetetraacetic acid, 99% 500g
- Ethylenediaminetetraacetic acid, 2Na (EDTA)
- E0084
- B7197
- 76353-66-7 (calcium,hydrochloride salt)
- (ethane-1,2-diyldinitrilo)tetraacetic acid
- SBI-0051360.P003
- 688-55-1
- 17421-79-3 (mono-hydrochloride salt)
- 10058-42-1 (iron(3+) salt)
- CAS-60-00-4
- 53404-51-6 (mono-potassium salt)
- RTR-020771
- (ethane-1,2-diyldinitrilo)tetraacetate
- Glycine, (N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, labeled with carbon-14
- 139-33-3 (di-hydrochloride salt)
- BDBM50330325
- ANW-33408
- 2001-94-7 (di-potassium salt)
- 7379-28-4 (hydrochloride salt)
- 24669-13-4 (chromium salt)
- 7379-27-3 (potassium salt)
- ZX-AFC000762
- (Ethylenedintrilo)tetraacetic acid
- Ethylenedinitrilo-tetraacetic acid
- ethylene-diamine tetraacetic acid
- ethylene diamine tetraacetic acid
- Calcium Disodium Edetate (JAN)
- Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl))-
- 9G34HU7RV0
- ethylenediamine-tetraacetic acid
- BIDD:ER0565
- Ethylenediamineteraacetic Acid
- Diaminoethanetetra-acetic acid
- Diaminoethane-tetraacetic acid
- Edetic acid [BAN:INN]
- Edetic acid (NF/INN)
- Acroma DH 700
- Edetic Acid, Disodium, Magnesium Salt
- Disodium Ethylene Dinitrilotetraacetate
- Versene acid (TN)
- CaEDTA
- EDTA, free base
- EDTA, free acid
- Zonon AO
- H4edta
- Uni Wash
- Techrun DO
- {[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid
- ([2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino)-acetic acid
- (Ethylenedinitrilo)tetraacetic acid, disodium salt
- Ethylenebis(iminodiacetic acid)
- Ethylene Dinitrilotetraacetate
- Edetic acid [INN:BAN]
- ETHYLENEDIAMINETETRAACETIC ACID, ACS
- Magnesium Disodium EDTA
- Disodium Calcitetracemate
- Edetate calcium disodium (USP)
- Copper EDTA
- Gallium EDTA
- Distannous EDTA
- Calcium Tetacine
- 139-33-3
- Disodium dihydrogen(ethylenedinitrilo)tetraacetate
- Edetates
- Tetracemate
- Disodium dihydrogen ethylenediaminetetraacetate
- EDTA, ion(4-)
- EDTA, 500 mM Solution, pH 8.0, ULTROL® Grade
- Calcium disodium versenate (TN)
- Disodium (ethylenedinitrilo)tetraacetic acid
- D'E.d.t.a. disodique
- J-610078
- Disodium diacid ethylenediaminetetraacetate
- Ethylenediaminetetraacetate, disodium salt
- CBC 50152966
- SODIUM ETHYLENEDIAMINETETRAACETATE
- Disodium ethylenediaminetetraacetic acid
- Disodium (ethylenedinitrilo)tetraacetate
- Perma kleer 50 crystals disodium salt
- Disodium ethylenediaminetetraacetate
- 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid
- Selekton B2
- Trilon B
- Sequestrene Na2
- Ethylenediaminetetraacetic acid disodium salt
- MFCD00003541
- {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
- 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
- Perma Kleer Di Crystals
- Edetate calcium disodium
- Disodium salt of EDTA
- N,N'-1,2-Ethane diylbis-(N-(carboxymethyl)glycine)
- Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-
- N,N'-1,2-Ethanediylbis(N-(carboxymethyl)glycine)
- Acetic acid, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis-
- Sequestrene sodium 2
- F 1 (complexon)
- EDTA disodium salt
- Disodium tetracemate
- Disodium sequestrene
- C10H16N2O8
- Versene Na2
- Trilon BD
- Edathamil disodium
- Disodium versenate
- Triplex III
- Versene NA
- Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-
- Chelaton III
- 3,6-Diazaoctanedioic acid, 3,6-bis(carboxymethyl)-
- Titriplex III
- Complexon III
- Chelaplex III
- Kiresuto B
- Metaquest B
- Acide ethylenediaminetetracetique [French]
- Kyselina ethylendiamintetraoctova [Czech]
- Ethylenediaminetetraacetate
- Edetic acid disodium salt
- Sodium versenate
- Kyselina ethylendiamintetraoctova
- Endrate disodium
- Disodium versene
- Disodium edetate
- Edta disodium
- Edetate calcium
- ETHYLENEDIAMINE TETRAACETIC ACID
- EPA Pesticide Chemical Code 039101
- Calcium disodium edetate
- Acetic acid, (ethylenedinitrilo)tetra-
- Ethylenediamine-N,N,N',N'-tetraacetic acid
- Acide ethylenediaminetetracetique
- Edetate
- Disodium EDTA
- Diso-Tate
- Acidum edeticum [INN-Latin]
- Acido edetico [INN-Spanish]
- Acide edetique [INN-French]
- Edetate disodium
- YD 30
- Ethylenebisiminodiacetic acid
- SEQ 100
- ICRF 185
- Chelaton 3
- Caswell No. 438
- Acido edetico
- Acide edetique
- Acidum edeticum
- Ethylenedinitrilotetraacetic acid
- Cheladrate
- EDTA (chelating agent)
- (Ethylenedinitrilo)tetraacetic acid
- Clewat TAA
- Nervanaid B acid
- Perma kleer 50 acid
- Nullapon bf acid
- Nullapon B acid
- Dissolvine E
- Vinkeil 100
- Calcium disodium versenate
- Universne acid
- Versenate
- Chemcolox 340
- Celon ATH
- Questex 4H
- Chelest 3A
- Celon A
- Trilon BS
- Cheelox BF acid
- Titriplex II
- Hamp-ene acid
- Complexon II
- Trilon bw
- Metaquest A
- Versene acid
- Tetrine acid
- Quastal Special
- Komplexon ii
- Sequestrene aa
- Gluma cleanser
- Warkeelate acid
- Sequestric acid
- Cheelox
- Sequestrol
- EDTA acid
- Versene
- Titriplex
- Havidote
- Endrate
- Edathamil
- 60-00-4
- Edetic acid
- Ethylenediaminetetraacetic acid
- EDTA
- Stannous EDTA
- Chromium EDTA
- Potassium EDTA
EDTA Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of EDTA? |
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C10H16N2O8 |
How many atoms and what are the elements included the EDTA molecule? |
36 atom(s) - 16 Hydrogen atom(s), 10 Carbon atom(s), 2 Nitrogen atom(s), and 8 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the EDTA structure? |
35 bond(s) - 19 non-H bond(s), 4 multiple bond(s), 11 rotatable bond(s), 4 double bond(s), 4 carboxylic acid(s) (aliphatic), 2 tertiary amine(s) (aliphatic), and 4 hydroxyl group(s) |
What’s the EDTA’s molecular weight? |
292.24264 g/mol |
What’s the SMILES code of EDTA? |
OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
What’s the InChI string of EDTA? |
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) |
What’s the InChIKey code of EDTA? |
KCXVZYZYPLLWCC-UHFFFAOYSA-N |
12040
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).