Disodium sebacate

C10H16Na2O4CAS 17265-14-4246.21 g/mol

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O−OO−ONa+Na+
Carboxylic acid

Properties

Molecular formula
C10H16Na2O4
Molar mass
246.21 g/mol
Exact mass
246.0844 Da
logP
1.51Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
9

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
17265-14-4
SMILES
[O-]C(=O)CCCCCCCCC([O-])=O.[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

7 names
  • Decanedioic acid, sodium salt (1:2)
  • Sebacic acid, disodium salt
  • Decanedioic acid, disodium salt
  • Sodium sebacate
  • Disodium decanedioate
  • SA-NA
  • NS 18

Work with Disodium sebacate

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.

Sebacic acid111-20-6Free acid

Similar compounds

Sodium caprate1002-62-675 % similar Sodium octanoate1984-06-175 % similar Sodium palmitate408-35-575 % similar Sodium laurate629-25-475 % similar Sodium myristate822-12-875 % similar Sodium stearate822-16-275 % similar Disodium succinate150-90-374 % similar Sodium hexanoate10051-44-271 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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