chempirical

Disodium nitrilotriacetate

C6H7NNa2O6CAS 15467-20-6235.10 g/mol

Open in Covalent MOL file
O−ONO−OOOHNa+Na+
Carboxylic acidTertiary amine

Properties

Molecular formula
C6H7NNa2O6
Molar mass
235.10 g/mol
Exact mass
235.0069 Da
logP
-2.22Crippen estimate
Polar surface area
115.1 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6

Identifiers

CAS number
15467-20-6
SMILES
[O-]C(=O)CN(CC([O-])=O)CC(=O)O.[Na+].[Na+]
InChIKey
CEGPKOIWQYWDNX-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO6.2Na/c8-4(9)1-7(2-5(10)11)3-6(12)13;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;

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Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Glycine, N,N-bis(carboxymethyl)-, sodium salt (1:2)
  • Nitrilotriacetic acid disodium salt
  • Chelest NTB
  • Chelest 2NT
  • Aminotriacetic acid disodium salt
  • Disodium aminotriacetate
  • Acetic acid, nitrilotri-, disodium salt
  • Glycine, N,N-bis(carboxymethyl)-, disodium salt
  • Disodium hydrogen nitrilotriacetate

Work with Disodium nitrilotriacetate

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

Similar compounds

Disodium ethylenediaminetetraacetate139-33-386 % similar Trisodium edta150-38-986 % similar Disodium edta dihydrate6381-92-677 % similar Trisodium nitrilotriacetate5064-31-372 % similar Gadoteric acid72573-82-170 % similar Tripotassium ethylenediaminetetraacetate17572-97-368 % similar Dipotassium edta2001-94-768 % similar Gd-dtpa80529-93-768 % similar

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

Elsewhere

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