N-(2-Acetamido)iminodiacetic acid disodium salt

C₆H₈N₂Na₂O₅CAS 41689-31-0234.12 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Tertiary amine

Properties

Molecular formula: C₆H₈N₂Na₂O₅
Molar mass: 234.12 g/mol
Exact mass: 234.0229 Da
logP: -10.72Crippen estimate
Polar surface area: 126.6 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 6

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

41689-31-0

SMILES

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

InChIKey

UFJHJSRPIBTMAS-UHFFFAOYSA-L

InChI

InChI=1S/C6H10N2O5.2Na/c7-4(9)1-8(2-5(10)11)3-6(12)13;;/h1-3H2,(H2,7,9)(H,10,11)(H,12,13);;/q;2*+1/p-2

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Names and synonyms

1 names

Disodium ((2-amino-2-oxoethyl)(carboxylatomethyl)amino)acetate

Work with N-(2-Acetamido)iminodiacetic acid disodium salt

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.

Ada (buffer)26239-55-4Free acid

Similar compounds

Trisodium nitrilotriacetate5064-31-375 % similar Trisodium nitrilotriacetate monohydrate18662-53-867 % similar Disodium nitrilotriacetate15467-20-663 % similar Tetrasodium EDTA64-02-863 % similar Pentasodium pentetate140-01-261 % similar Tetrasodium ethylenediaminetetraacetate dihydrate10378-23-157 % similar Ethylenediaminetetraacetic acid tetrasodium salt tetrahydrate13235-36-457 % similar Copper disodium EDTA14025-15-157 % similar

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

Elsewhere

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