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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.

External Resources

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

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