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Disodium Ethylenediaminetetraacetate

CAS: 139-33-3 | C10H16N2Na2O8

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 139-33-3

Molecular Formula: C10H16N2Na2O8

Molecular Weight: 338.22400000000005 g/mol

Names and Synonyms:

Disodium Ethylenediaminetetraacetate Common Name

EDTA•Na2 Synonym

Chelest 2B-SD Synonym

Ethylenedinitrilotetraacetate disodium Synonym

VRP 1034 Synonym

Dissolvine Na 2x Synonym

Dissolvine Na 2T Synonym

Dissolvine Na2S Synonym

Edeta BD Synonym

Nervanaid Ba2 Synonym

Idranal III Synonym

TW 204 Synonym

Chelest 2BS Synonym

Dissolvine Na2 Synonym

Salina Synonym

Clewat N 2 Synonym

Disodium edathamil Synonym

Versene disodium salt Synonym

Tetracemate disodium Synonym

Versonol 120 Synonym

Clewat N Synonym

Chelest 200 Synonym

Mavacid ED 4 Synonym

Komplexon III Synonym

EDTA disodium salt Synonym

Khelaton 3 Synonym

Dotite 2NA Synonym

Disodium ethylenediaminetetraacetic acid salt Synonym

Zonon D Synonym

Chelaplex Synonym

Chelaton III Synonym

Chelest B Synonym

Trilon BD Synonym

Disodium ethylenediamine-N,N,N′,N′-tetraacetate Synonym

Sequestrene Na2 Synonym

Versene Na2 Synonym

Versene NA Synonym

Perma Kleer Di Crystals Synonym

Titriplex III Synonym

F 1 Synonym

Sodium versenate Synonym

Selekton B2 Synonym

F 1 (complexon) Synonym

Disodium tetracemate Synonym

Disodium versenate Synonym

Ethylenediaminetetraacetic acid disodium salt Synonym

Chelaplex III Synonym

Triplex III Synonym

Metaquest B Synonym

Endrate disodium Synonym

Edetate Disodium Synonym

Edathamil disodium Synonym

Disodium versene Synonym

Disodium sequestrene Synonym

Disodium (ethylenedinitrilo)tetraacetate Synonym

Disodium ethylenediaminetetraacetate Synonym

Disodium EDTA Synonym

Disodium edetate Synonym

Disodium dihydrogen ethylenediaminetetraacetate Synonym

Disodium diacid ethylenediaminetetraacetate Synonym

Complexon III Synonym

Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, disodium salt Synonym

Acetic acid, (ethylenedinitrilo)tetra-, disodium salt Synonym

Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, sodium salt (1:2) Synonym

Identifiers:

SMILES:

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Na].[Na]

InChI:

InChI=1S/C10H16N2O8.2Na/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.

External Resources

PubChem CAS NIST

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property	Value	Source
molecular_mass	338.22 g/mol	Legacy Database
cas-canonical-smile	[Na].O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O None	Legacy Database
cas-inchi	InChI=1S/C10H16N2O8.2Na/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=BDOYKFSQFYNPKF-UHFFFAOYSA-N None	Legacy Database
cas-melting-point	252 °C (decomp) None	Legacy Database
cas-name	Disodium ethylenediaminetetraacetate None	Legacy Database
LogP	-2.8327999999999953	RDKit

Molecular

Property	Value	Source
Molecular Weight	338.22400000000005 g/mol	RDKit

Exact

Property	Value	Source
Exact Molecular Weight	338.070204032 g/mol	RDKit

Heavy

Property	Value	Source
Heavy Atom Count	22 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 Å²	RDKit

Molar

Property	Value	Source
Molar Refractivity	74.93120000000003	RDKit