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61-78-9

61-78-9 structural image
Product Name: 4-Aminohippuric acid
Formula: C9H10N2O3
Synonyms: N-(4-Aminobenzoyl)glycine;4-Aminohippuric acid;N-(4-Aminobenzoyl)aminoacetic acid, N-(4-Aminobenzoyl)glycine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White solid; Discolors upon exposure to light; [Hawley] Off-white or white powder; [MSDSonline]
Color/Form NEEDLES FROM HOT WATER
Melting Point 199-200 °C
Solubility Slightly soluble
Vapor Pressure 0.00000004 [mmHg]
LogP -2.2
Stability/Shelf Life Discolors on exposure to light
Dissociation Constants 3.83
Collision Cross Section 153.7 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Other Experimental Properties AQ SOLN ARE ALKALINE /P-AMINOHIPPURIC ACID SODIUM/
Chemical Classes Nitrogen Compounds -> Amino Carboxylic Acids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 194.19 g/mol
XLogP3 -0.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 194.06914219 g/mol
Monoisotopic Mass 194.06914219 g/mol
Topological Polar Surface Area 92.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 222
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

P-aminohippuric acid is an N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow. It has a role as a Daphnia magna metabolite. It is a conjugate acid of a p-aminohippurate.