114311-32-9
Product Name:
Imazamox
Formula:
C15H19N3O4
Synonyms:
2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methoxymethylnicotinic acid;2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-3-pyridinecarboxylic acid;RAPTOR;Regulatory-associated protein of mTOR;RPTOR
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Off-white odorless solid; [HSDB] |
|---|---|
| Color/Form | Off-white powdered solid |
| Odor | Odorless |
| Melting Point | 166.0 to 166.7 °C |
| Solubility | In water, 4,160 ppm (mg/L) at 20 °C /deionized water/ |
| Density | 1.39 g/mL |
| Vapor Pressure | Vapor pressure: <1.3X10-2 mPa at 25 °C (9.75X10-11 mm Hg) |
| LogP | log Kow = 0.73 (pH 5 & 6, corrected) |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Corrosivity | Product is not a corrosive hazard |
| pH | 2.35, 1% aqueous suspension (w:v) at 24.5 °C |
| Dissociation Constants | pKa1 = 2.3; pKa2 = 3.3 |
| Other Experimental Properties | Partition coefficient (octanol/water): 0.004 (pH 7) |
| Chemical Classes | Pesticides -> Herbicides, Imidazolinone |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 305.33 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 305.13755610 g/mol |
| Monoisotopic Mass | 305.13755610 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 491 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid is a pyridinemonocarboxylic acid that is nicotinic acid which is substituted substituted at position 5 by a methoxymethyl group and at position 2 by a 4,5-dihydro-1H-imidazol-2-yl group, that in turn is substituted by isopropyl, methyl, and oxo groups at positions 4, 4, and 5, respectively. It is a pyridinemonocarboxylic acid, an ether, an imidazolone and a member of imidazolines.