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| | 4-HYDROXYMETHYL-5-METHYLIMIDAZOLE Basic information |
| Product Name: | 4-HYDROXYMETHYL-5-METHYLIMIDAZOLE | | Synonyms: | 5-methyl-1h-imidazole-4-methano;(5-METHYL-1H-IMIDAZOL-4-YL)-METHANOL;5-METHYL-4-HYDROXYMETHYLIMIDAZOLE;4-HYDROXYMETHYL-5-METHYLIMIDAZOLE;5-methyl-1H-imidazole-4-methanol;4-hydroxymethyl-5-methylimidazole base;5-Hydroxymethyl-4-methylimidazole;4-(Hydroxymethyl)-5-methyl-1H-imidazole | | CAS: | 29636-87-1 | | MF: | C5H8N2O | | MW: | 112.13 | | EINECS: | 249-740-8 | | Product Categories: | pharmacetical;Imidazol&Benzimidazole | | Mol File: | 29636-87-1.mol |  |
| | 4-HYDROXYMETHYL-5-METHYLIMIDAZOLE Chemical Properties |
| Melting point | 136°C | | Boiling point | 389.1±27.0 °C(Predicted) | | density | 1.231 | | storage temp. | 2-8°C | | solubility | DMSO (Heated), Methanol (Slightly) | | pka | 13.62±0.10(Predicted) | | form | Solid | | color | White to Off-White | | Water Solubility | almost transparency | | Major Application | pharmaceutical small molecule | | InChI | InChI=1S/C5H8N2O/c1-4-5(2-8)7-3-6-4/h3,8H,2H2,1H3,(H,6,7) | | InChIKey | AXJZCJSXNZZMDU-UHFFFAOYSA-N | | SMILES | C1NC(CO)=C(C)N=1 | | LogP | -0.62 at 23℃ and pH8.4 | | CAS DataBase Reference | 29636-87-1(CAS DataBase Reference) | | EPA Substance Registry System | 1H-Imidazole-4-methanol, 5-methyl- (29636-87-1) |
| Risk Statements | 36/37/38 | | Safety Statements | 26-36/37/39 | | WGK Germany | WGK 3 | | TSCA | TSCA listed | | HS Code | 2933299090 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Acute Tox. 4 Oral
Skin Corr. 1B |
| | 4-HYDROXYMETHYL-5-METHYLIMIDAZOLE Usage And Synthesis |
| Uses | 4-Hydroxymethyl-5-methylimidazole is used as an intermediate of Alosetron hydrochloride, a 5-HT3 antagonist used only for the treatment of irritable bowel syndrome (IBS) in women with predominantly severe diarrhoea. As the drug causes ischaemic colitis, a life-threatening condition in which intestinal tissue dies due to lack of blood flow to the colon. Therefore, it is no longer used. |
| | 4-HYDROXYMETHYL-5-METHYLIMIDAZOLE Preparation Products And Raw materials |
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