Imazapyr acid (CAS 81334-34-1) — formula C13H15N3O3, molecular weight 261.28; category organic chemicals.
Imazapyr acid is a carbon-based organic compound with CAS registry number 81334-34-1 and molecular formula C13H15N3O3 (molecular weight 261.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81334-34-1
Its molecular formula C13H15N3O3 comprises 13 C, 15 H, 3 N, 3 O atoms.
Also known as: Imazapyr acid · Imazapyr
Category: organic chemicals
The CAS registry number of Imazapyr acid is 81334-34-1.
Molecular formula C13H15N3O3, molecular weight 261.28.
It is also registered under: Imazapyr acid, Imazapyr.
Category: Organic Chemicals.
Public-database records for Imazapyr acid (CAS 81334-34-1), reproduced here for independent cross-checking.
| Reported hazard statements | H319, H412, H400 (49.5%), H318, H410 |
|---|
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
| 熔点 | 171 °C |
|---|---|
| 密度 | 0.34 g/mL |
| 蒸气压 | VP: <0.013 mPa at 60 °C |
| LogP | log Kow = 0.22 |
| LogP | 0.22 |
| Dissociation Constants | pKa = 1.81 |
| Collision Cross Section | 175 Ų [M+Na]+ |
| Collision Cross Section | 164.4 Ų [M-H]- |
| Collision Cross Section | 156.8 Ų [M+H]+ |
| CAS Registry Number | 81334-34-1 |
|---|---|
| PubChem CID | 54738 |
| 分子式 | C13H15N3O3 |
| IUPAC 名称 | 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid |
| UNII(FDA) | 787MX0M5A6 |
Imazapyr; 81334-34-1; Charper; Arsenal 250A; (+-)-Imazapyr; DTXSID8034665; 2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid; 787MX0M5A6; AC 243,997; 3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-; DTXCID6014665; 2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid; 3-Pyridinecarboxylic 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-pyridinecarboxylic acid; 2-(5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl)pyridine-3-carboxylic acid; 2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid
| 分子量 | 261.28 |
|---|---|
| XLogP3 | 1.2 |
| 氢键供体数 | 2 |
| 氢键受体数 | 5 |
| 可旋转键数 | 3 |
| 精确质量 | 261.11134135 |
| 单同位素质量 | 261.11134135 |
| 拓扑极性表面积 | 91.7 |
| 重原子数 | 19 |
| 形式电荷 | 0 |
Imazapyr acid · CAS 81334-34-1 · C13H15N3O3. UNII 787MX0M5A6. 熔点: 171 °C; 密度: 0.34 g/mL; 蒸气压: VP: <0.013 mPa at 60 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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