Imazaquin acid (CAS 81335-37-7) — formula C17H17N3O3, molecular weight 311.33; category organic chemicals.
Imazaquin acid is a carbon-based organic compound with CAS registry number 81335-37-7 and molecular formula C17H17N3O3 (molecular weight 311.33), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81335-37-7
Its molecular formula C17H17N3O3 comprises 17 C, 17 H, 3 N, 3 O atoms.
Also known as: Imazaquin acid · Imazaquin
Category: organic chemicals
The CAS registry number of Imazaquin acid is 81335-37-7.
Molecular formula C17H17N3O3, molecular weight 311.33.
It is also registered under: Imazaquin acid, Imazaquin.
Category: Organic Chemicals.
Public-database records for Imazaquin acid (CAS 81335-37-7), reproduced here for independent cross-checking.
| Reported hazard statements | H312 (22.1%), H400 (69.5%), H410 (69.5%) |
|---|
H312 (22.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H400 (69.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
| 熔点 | 219-222 °C (decomposition) |
|---|---|
| 溶解度 | Sol in water @ 25 °C: 60-120 ppm |
| 蒸气压 | <0.013 mPa @ 60 °C |
| LogP | 1.29 |
| CAS Registry Number | 81335-37-7 |
|---|---|
| PubChem CID | 54739 |
| 分子式 | C17H17N3O3 |
| IUPAC 名称 | 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid |
| UNII(FDA) | 8LZY7C31XA |
IMAZAQUIN; 81335-37-7; Scepter Herbicide; Imazaquine; Scepter; DTXSID3024152; AC 252214; 8LZY7C31XA; 2-(5-Isopropyl-5-methyl-4-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid; 3-Quinolinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-; 2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid; IMAGE (PESTICIDE); 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)quinoline-3-carboxylic acid; CHEBI:5869; DTXCID904152; 2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid
| 分子量 | 311.33 |
|---|---|
| XLogP3 | 2.5 |
| 氢键供体数 | 2 |
| 氢键受体数 | 5 |
| 可旋转键数 | 3 |
| 精确质量 | 311.12699141 |
| 单同位素质量 | 311.12699141 |
| 拓扑极性表面积 | 91.7 |
| 重原子数 | 23 |
| 形式电荷 | 0 |
Imazaquin acid · CAS 81335-37-7 · C17H17N3O3. UNII 8LZY7C31XA. 熔点: 219-222 °C (decomposition); 溶解度: Sol in water @ 25 °C: 60-120 ppm; 蒸气压: <0.013 mPa @ 60 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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