Ethylenediaminetetraacetic acid dipotassium salt dihydrate

C₁₀H₁₈K₂N₂O₁₀CAS 25102-12-9404.45 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₀H₁₈K₂N₂O₁₀
Molar mass: 404.45 g/mol
Exact mass: 404.0236 Da
logP: -12.38Crippen estimate
Polar surface area: 224.3 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 11

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

25102-12-9

SMILES

C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[K+].[K+]

InChIKey

JFROQFOCFOKDKU-UHFFFAOYSA-L

InChI

InChI=1S/C10H16N2O8.2K.2H2O/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);;;2*1H2/q;2*+1;;/p-2

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Names and synonyms

1 names

Dipotassium EDTA dihydrate

Work with Ethylenediaminetetraacetic acid dipotassium salt dihydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dipotassium EDTA2001-94-7Anhydrous Ethylenediaminetetraacetic acid60-00-4Free acid Disodium ethylenediaminetetraacetate139-33-3Salt Tetrasodium EDTA64-02-8Salt Ferric sodium EDTA15708-41-5Salt Edetate calcium disodium anhydrous62-33-9Salt Trisodium EDTA150-38-9Salt Copper disodium EDTA14025-15-1Salt Disodium zinc EDTA14025-21-9Salt Disodium zinc EDTA39208-16-7Salt Disodium manganese EDTA15375-84-5Salt Magnesium disodium EDTA14402-88-1Salt

Similar compounds

Gd-DTPA80529-93-773 % similar Gadoteric acid72573-82-170 % similar Disodium nitrilotriacetate15467-20-662 % similar Gadodiamide131410-48-556 % similar Pentetic acid67-43-655 % similar Triethylenetetraminehexaacetic acid869-52-355 % similar Dota (chelator)60239-18-152 % similar Pentasodium pentetate140-01-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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