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4-HYDROXYMETHYL-5-METHYLIMIDAZOLE

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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
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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)
form 
Solid
pka
13.62±0.10(Predicted)
color 
White to Off-White
Water Solubility 
almost transparency
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)
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Safety Information

Risk Statements 
36/37/38
Safety Statements 
26-36/37/39
HS Code 
2933299090
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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.

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