495-69-2
Product Name:
Hippuric acid
Formula:
C9H9NO3
Synonyms:
N-Benzoylglycine;Benzamidoacetic acid, Benzoylglycine, Benzoylaminoacetic acid;Benzoylaminoacetic acid;Hippuric acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] White crystalline powder; [Alfa Aesar MSDS] |
|---|---|
| Melting Point | 187 - 191 °C |
| Solubility | 3.75 mg/mL |
| Vapor Pressure | 0.00000076 [mmHg] |
| LogP | 0.31 |
| Collision Cross Section | 139.72 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Chemical Classes | Nitrogen Compounds -> Amino Carboxylic Acids |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H318:Serious eye damage/eye 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. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 179.17 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 179.058243149 g/mol |
| Monoisotopic Mass | 179.058243149 g/mol |
| Topological Polar Surface Area | 66.4 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 197 |
| 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
N-benzoylglycine is an N-acylglycine in which the acyl group is specified as benzoyl. It has a role as a uremic toxin and a human blood serum metabolite. It is a conjugate acid of a N-benzoylglycinate.