CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystalline solid |
| Solubility | Solubility: Approx 10 mg/L in PBS /phosphate-buffered saline/ (pH 7.2); appeoxmately 10 mg/mL in DMSO; Approximately 2 mg/mL in ethanol, DMF /Methylimidazoleacetic acid, monohydrochloride/ |
| Other Experimental Properties | Crystalline solid. MW 176.6. /Methylimidazoleacetic acid, monohydrochloride/ |
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 | 140.14 g/mol |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 140.058577502 g/mol |
| Monoisotopic Mass | 140.058577502 g/mol |
| Topological Polar Surface Area | 55.1 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 138 |
| 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
1-methyl-4-imidazoleacetic acid is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1-methyl-1H-imidazol-4-yl group. It has a role as a metabolite and a GABA agonist. It is a member of imidazoles and a monocarboxylic acid. It is functionally related to an acetic acid. It is a conjugate acid of a 1-methyl-4-imidazoleacetate.