ChemicalBook--->CAS DataBase List--->29636-87-1

29636-87-1

29636-87-1 Structure

29636-87-1 Structure
IdentificationMore
[Name]

4-HYDROXYMETHYL-5-METHYLIMIDAZOLE
[CAS]

29636-87-1
[Synonyms]

4-Methyl-5-imidazolemethanol
Cimetidine Impurity I HCl(EP)
4-Hydoxymethyl-5-methylimidazol
5-methyl-1h-imidazole-4-methano
5-methyl-1H-imidazole-4-methanol
4-Methyl-1H-imidazole-5-methanol
5-Hydroxymethyl-4-methylimidazole
5-METHYL-4-HYDROXYMETHYLIMIDAZOLE
4-HYDROXYMETHYL-5-METHYLIMIDAZOLE
1H-Imidazole-5-methanol, 4-methyl-
(4-Methyl-1H-imidazol-5-yl)methanol
4-Hydroxymethyl-5-methylimidazole>
(5-METHYL-1H-IMIDAZOL-4-YL)-METHANOL
4-Methyl-5-hydroxymethyl-1H-imidazole
4-hydroxymethyl-5-methylimidazole base
4-(Hydroxymethyl)-5-methyl-1H-imidazole
4-Methyl-5-(hydroxymethyl)-1H-imidazole
Cimetidine Impurity 15(Cimetidine EP Impurity I)
[EINECS(EC#)]

249-740-8
[Molecular Formula]

C5H8N2O
[MDL Number]

MFCD00792476
[Molecular Weight]

112.13
[MOL File]

29636-87-1.mol
Chemical PropertiesBack Directory
[Melting point ]

136°C
[Boiling point ]

389.1±27.0 °C(Predicted)
[density ]

1.231
[storage temp. ]

Sealed in dry,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
[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)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317-H319
[Precautionary statements ]

P280-P305+P351+P338
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

2933299090
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Skin Corr. 1B
Hazard InformationBack Directory
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

4-HYDROXYMETHYL-5-METHYLIMIDAZOLE(29636-87-1)1HNMR
4-HYDROXYMETHYL-5-METHYLIMIDAZOLE(29636-87-1)13CNMR
4-HYDROXYMETHYL-5-METHYLIMIDAZOLE(29636-87-1)IR1
4-HYDROXYMETHYL-5-METHYLIMIDAZOLE(29636-87-1)IR2
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

4-Hydroxymethyl-5-methylimidazole,>96.0%(GC)(T)(29636-87-1)
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