Trisodium nitrilotriacetate monohydrate

C₆H₈NNa₃O₇CAS 18662-53-8275.10 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₆H₈NNa₃O₇
Molar mass: 275.10 g/mol
Exact mass: 274.9994 Da
Melting point: 340 °C (decomposes)
logP: -3.42Crippen estimate
Polar surface area: 146.6 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 6

Identifiers

CAS number

18662-53-8

SMILES

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

InChIKey

FPSRYCUQVVPXGK-UHFFFAOYSA-N

InChI

InChI=1S/C6H9NO6.3Na.H2O/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;;1H2

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

Names and synonyms

4 names

Glycine, N,N-bis(carboxymethyl)-, sodium salt, hydrate (1:3:1)
Acetic acid, nitrilotri-, trisodium salt, monohydrate
Glycine, N,N-bis(carboxymethyl)-, trisodium salt, monohydrate
Nitrilotriacetic acid trisodium salt monohydrate

Work with Trisodium nitrilotriacetate monohydrate

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

Trisodium nitrilotriacetate5064-31-386 % similar Tetrasodium ethylenediaminetetraacetate dihydrate10378-23-183 % similar Ethylenediaminetetraacetic acid tetrasodium salt tetrahydrate13235-36-483 % similar Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, tetrasodium salt, trihydrate67401-50-783 % similar Calciate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium, hydrate (1:2:?), (oc-6-21)-23411-34-974 % similar Tetrasodium edta64-02-871 % similar Pentasodium pentetate140-01-268 % similar Disodium edta dihydrate6381-92-665 % similar

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

Elsewhere

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