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C10H11N2NaO3CAS 62936-56-5230.20 g/mol

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O−ONHONNa+
Carboxylic acid

Properties

Molecular formula
C10H11N2NaO3
Molar mass
230.20 g/mol
Exact mass
230.0667 Da
logP
0.87Crippen estimate
Polar surface area
82.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5

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
62936-56-5
SMILES
[O-]C(=O)CCCNC(=O)c1cccnc1.[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
  • Butanoic acid, 4-[(3-pyridinylcarbonyl)amino]-, sodium salt (1:1)
  • Butanoic acid, 4-[(3-pyridinylcarbonyl)amino]-, monosodium salt
  • Nicotinoyl-GABA sodium salt
  • Sodium N-nicotinoyl-γ-aminobutyrate

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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.

4-((3-Pyridinylcarbonyl)amino)butanoic acid34562-97-5Free acid

Similar compounds

Sodium N-[8-(2-hydroxybenzoyl)amino]caprylate203787-91-150 % similar Sodium hippurate532-94-549 % similar Sodium nicotinate54-86-449 % similar Sodium phenylbutyrate1716-12-743 % similar Sodium p-aminohippurate94-16-640 % similar 1-(3-Pyridyl)propan-1-one1570-48-540 % similar Chromium nicotinate64452-96-640 % similar Balsalazide disodium hydrate150399-21-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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