Sodium P-aminohippurate

C₉H₉N₂NaO₃CAS 94-16-6216.17 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Identifiers

CAS number

94-16-6

SMILES

Nc1ccc(C(=O)NCC([O-])=O)cc1.[Na+]

InChIKey

QSNFMORCYWCZGN-UHFFFAOYSA-N

InChI

InChI=1S/C9H10N2O3.Na/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13;/h1-4H,5,10H2,(H,11,14)(H,12,13);

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Similar compounds

Sodium hippurate532-94-570 % similar P-Aminohippuric acid61-78-957 % similar Sodium P-aminobenzoate555-06-650 % similar N-(4-Aminobenzoyl)-β-alanine7377-08-448 % similar 4-Aminobenzoic acid hydrazide5351-17-747 % similar Procainamide hydrochloride614-39-143 % similar Disodium iminodiacetate928-72-342 % similar Picamilon62936-56-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook