Sodium p-aminohippurate

C9H9N2NaO3CAS 94-16-6216.17 g/mol

Open in Covalent MOL file
H2NOHNO−ONa+
AmideCarboxylic acidPrimary amine

Properties

Molecular formula
C9H9N2NaO3
Molar mass
216.17 g/mol
Exact mass
216.0511 Da
logP
-0.30Crippen estimate
Polar surface area
92.4 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

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
94-16-6
SMILES
Nc1ccc(C(=O)NCC([O-])=O)cc1.[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

6 names
  • Glycine, N-(4-aminobenzoyl)-, sodium salt (1:1)
  • Hippuric acid, p-amino-, monosodium salt
  • Glycine, N-(4-aminobenzoyl)-, monosodium salt
  • Hippuric acid, p-amino-, sodium salt
  • p-Aminohippuric acid sodium salt
  • Aminohippurate sodium

Work with Sodium p-aminohippurate

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.

p-Aminohippuric acid61-78-9Free acid

Similar compounds

Sodium hippurate532-94-570 % similar 4-Amino-N-(2-hydroxyethyl)benzamide54472-45-651 % similar Sodium p-aminobenzoate555-06-650 % similar N-(4-Aminobenzoyl)-beta-alanine7377-08-448 % similar 4-Aminobenzoic acid hydrazide5351-17-747 % similar 4-Amino-N-methylbenzamide6274-22-246 % similar Procainamide hydrochloride614-39-143 % similar Disodium iminodiacetate928-72-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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