4-Methylimidazol-5-ylmethanolhydrochloride

C₅H₉ClN₂OCAS 38585-62-5148.59 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₉ClN₂O
Molar mass: 148.59 g/mol
Exact mass: 148.0403 Da
logP: 0.63Crippen estimate
Polar surface area: 48.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

38585-62-5

SMILES

Cc1nc[nH]c1CO.Cl

InChIKey

UBHDUFNPQJWPRQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N2O.ClH/c1-4-5(2-8)7-3-6-4;/h3,8H,2H2,1H3,(H,6,7);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

1H-Imidazole-5-methanol, 4-methyl-, hydrochloride (1:1)
4-Methyl-1H-imidazole-5-methanol hydrochloride
4-Methyl-5-imidazolemethanol hydrochloride
(4-Methyl-1H-imidazol-5-yl)methanol hydrochloride
(5-Methyl-1H-imidazol-4-yl)methanol hydrochloride
1H-Imidazole-4-methanol, 5-methyl-, monohydrochloride
4-(Hydroxymethyl)-5-methylimidazole hydrochloride
5-Methyl-4-imidazolemethanol hydrochloride

Work with 4-Methylimidazol-5-ylmethanolhydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Hydroxymethyl-5-methyl-1H-imidazole29636-87-1Free base

Similar compounds

1H-Imidazole-4,5-dimethanol33457-48-652 % similar 4-Deoxypyridoxine148-51-640 % similar 4-(Hydroxymethyl)imidazole hydrochloride32673-41-940 % similar Pyridoxine hydrochloride58-56-040 % similar Pyritinol hydrochloride10049-83-936 % similar 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride524-36-736 % similar Cimetidine hydrochloride70059-30-236 % similar Pyridoxal hydrochloride65-22-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook