chempirical

p-Aminohippuric acid

C9H10N2O3CAS 61-78-9194.19 g/mol

Open in Covalent MOL file
H2NOHNOOH
AmideCarboxylic acidPrimary amine

Properties

Molecular formula
C9H10N2O3
Molar mass
194.19 g/mol
Exact mass
194.0691 Da
Density
1.39 g/mL
Melting point
198–199 °C
logP
0.08Crippen estimate
Polar surface area
92.4 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, P501

Identifiers

CAS number
61-78-9
SMILES
Nc1ccc(C(=O)NCC(=O)O)cc1
InChIKey
HSMNQINEKMPTIC-UHFFFAOYSA-N
InChI
InChI=1S/C9H10N2O3/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

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Names and synonyms

16 names · show all
  • Glycine, N-(4-aminobenzoyl)-
  • Hippuric acid, p-amino-
  • N-(4-Aminobenzoyl)glycine
  • N-(p-Aminobenzoyl)glycine
  • PAH
  • 4-Aminohippuric acid
  • (p-Aminobenzoyl)glycine
  • PAH (amino acid)
  • 4-Aminobenzoylglycine
  • N-(4-Aminobenzoyl)aminoacetic acid
  • NSC 13064
  • NSC 7550
  • (4-Aminobenzoylamino)acetic acid
  • 2-[(4-Aminobenzoyl)amino]acetic acid
  • 2-(4-Aminobenzamido)aceticacid
  • 2-[(4-Aminophenyl)formamido]acetic acid

Work with p-Aminohippuric acid

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.

Sodium p-aminohippurate94-16-6Salt

Similar compounds

N-(4-Aminobenzoyl)-beta-alanine7377-08-472 % similar p-Methylhippuric acid27115-50-067 % similar 4-Amino-N-(2-hydroxyethyl)benzamide54472-45-659 % similar N-Hippurylglycine1145-32-059 % similar 4-Nitrohippuric acid2645-07-059 % similar N-(4-Aminobenzoyl)-L-glutamic acid4271-30-153 % similar 4-Aminobenzoic acid hydrazide5351-17-751 % similar 4-Aminophenylacetic acid1197-55-350 % similar

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

Same formula

5-Acetamidoanthranilic acid50670-83-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook