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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
EDTA•Na2
Chelest 2B-SD
Ethylenedinitrilotetraacetate disodium
VRP 1034
Dissolvine Na 2x
Dissolvine Na 2T
Dissolvine Na2S
Edeta BD
Nervanaid Ba2
Idranal III
TW 204
Chelest 2BS
Dissolvine Na2
Salina
Clewat N 2
Disodium edathamil
Versene disodium salt
Tetracemate disodium
Versonol 120
Clewat N
Chelest 200
Mavacid ED 4
Komplexon III
EDTA disodium salt
Khelaton 3
Dotite 2NA
Disodium ethylenediaminetetraacetic acid salt
Zonon D
Chelaplex
Chelaton III
Chelest B
Trilon BD
Disodium ethylenediamine-N,N,N′,N′-tetraacetate
Sequestrene Na2
Versene Na2
Versene NA
Perma Kleer Di Crystals
Titriplex III
F 1
Sodium versenate
Selekton B2
F 1 (complexon)
Disodium tetracemate
Disodium versenate
Ethylenediaminetetraacetic acid disodium salt
Chelaplex III
Triplex III
Metaquest B
Endrate disodium
Edetate Disodium
Edathamil disodium
Disodium versene
Disodium sequestrene
Disodium (ethylenedinitrilo)tetraacetate
Disodium ethylenediaminetetraacetate
Disodium EDTA
Disodium edetate
Disodium dihydrogen ethylenediaminetetraacetate
Disodium diacid ethylenediaminetetraacetate
Complexon III
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, disodium salt
Acetic acid, (ethylenedinitrilo)tetra-, disodium salt
Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, sodium salt (1:2)

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

All Properties

Comprehensive physical and chemical properties

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 Ų RDKit

Physical Properties

Property Value Source
LogP -2.8327999999999953 RDKit
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

Molar

Property Value Source
Molar Refractivity 74.93120000000003 RDKit

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