1-methyl-1H-imidazole-5-carboxylic acid (CAS 41806-40-0) — formula C5H6N2O2, molecular weight 126.11; category organic chemicals.
1-methyl-1H-imidazole-5-carboxylic acid is a carbon-based organic compound with CAS registry number 41806-40-0 and molecular formula C5H6N2O2 (molecular weight 126.11), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 41806-40-0
Its molecular formula C5H6N2O2 comprises 5 C, 6 H, 2 N, 2 O atoms.
Also known as: 1-methyl-1H-imidazole-5-carboxylic acid
Category: organic chemicals
The CAS registry number of 1-methyl-1H-imidazole-5-carboxylic acid is 41806-40-0.
Molecular formula C5H6N2O2, molecular weight 126.11.
It is also registered under: 1-methyl-1H-imidazole-5-carboxylic acid.
Category: Organic Chemicals.
Public-database records for 1-methyl-1H-imidazole-5-carboxylic acid (CAS 41806-40-0), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (17.4%), H319 (100%), H335 (15.2%) |
|---|
H315 (17.4%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| CAS Registry Number | 41806-40-0 |
|---|---|
| PubChem CID | 2773507 |
| 分子式 | C5H6N2O2 |
| IUPAC 名称 | 3-methylimidazole-4-carboxylic acid |
1-methyl-1H-imidazole-5-carboxylic acid; 41806-40-0; DTXSID70378506; RefChem:433837; DTXCID70329533; 670-292-8; 1-methylimidazole-5-carboxylic acid; 3-methylimidazole-4-carboxylic Acid; MFCD00955677; 3-methyl-3H-imidazole-4-carboxylic acid; 1-methyl-5-imidazolecarboxylic acid; CL2207; AKOS005174555; AKOS015995570; 1H-imidazole-5-carboxylic acid, 1-methyl-, nitrate; F8881-6570
| 分子量 | 126.11 |
|---|---|
| XLogP3 | -0.1 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 1 |
| 精确质量 | 126.042927438 |
| 单同位素质量 | 126.042927438 |
| 拓扑极性表面积 | 55.1 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
1-methyl-1H-imidazole-5-carboxylic acid · CAS 41806-40-0 · C5H6N2O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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