Trisodium dicarboxymethyl alaninate

C7H8NNa3O6CAS 164462-16-2271.11 g/mol

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O−ONO−OO−ONa+Na+Na+
Carboxylic acidTertiary amine

Properties

Molecular formula
C7H8NNa3O6
Molar mass
271.11 g/mol
Exact mass
271.0045 Da
logP
-2.21Crippen estimate
Polar surface area
115.1 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
164462-16-2
SMILES
CC(C([O-])=O)N(CC([O-])=O)CC([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

5 names
  • Alanine, N,N-bis(carboxymethyl)-, sodium salt (1:3)
  • DL-Alanine, N,N-bis(carboxymethyl)-, trisodium salt
  • Alanine, N,N-bis(carboxymethyl)-, trisodium salt
  • DL-Alanine-N,N-diacetic acid trisodium salt
  • Dissolvine M 40

Work with Trisodium dicarboxymethyl alaninate

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

Glutamic acid diacetate tetrasodium salt51981-21-657 % similar Trisodium nitrilotriacetate5064-31-348 % similar Tetrasodium EDTA64-02-845 % similar Pentasodium pentetate140-01-244 % similar Trisodium nitrilotriacetate monohydrate18662-53-844 % similar L-Hydroxysuccinic acid disodium salt138-09-043 % similar Sodium malate22798-10-343 % similar Sodium malate676-46-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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