Trisodium nitrilotriacetate monohydrate

C6H8NNa3O7CAS 18662-53-8275.10 g/mol

Open in Covalent MOL file
O−ONO−OO−OH2ONa+Na+Na+
Carboxylic acidTertiary 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 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6

Hazards

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

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Identifiers

CAS number
18662-53-8
SMILES
[O-]C(=O)CN(CC([O-])=O)CC([O-])=O.O.[Na+].[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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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

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.

Trisodium nitrilotriacetate5064-31-3Anhydrous Nitrilotriacetic acid139-13-9Free acid Disodium nitrilotriacetate15467-20-6Salt

Similar compounds

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 N-(2-Acetamido)iminodiacetic acid disodium salt41689-31-067 % similar Disodium EDTA dihydrate6381-92-665 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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