4-(Hydroxymethyl)imidazole hydrochloride

C₄H₇ClN₂OCAS 32673-41-9134.56 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₇ClN₂O
Molar mass: 134.56 g/mol
Exact mass: 134.0247 Da
Melting point: 93 °C
logP: 0.32Crippen 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 irritation97.8% of notifiers

Aggregated from 45 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

32673-41-9

SMILES

Cl.OCc1cnc[nH]1

InChIKey

WFNASTYGEKUMIY-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N2O.ClH/c7-2-4-1-5-3-6-4;/h1,3,7H,2H2,(H,5,6);1H

Weigh it out

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

Names and synonyms

12 names

1H-Imidazole-5-methanol, hydrochloride (1:1)
1H-Imidazole-4-methanol, monohydrochloride
Imidazole-4-methanol, monohydrochloride
Imidazole-4(or 5)-methanol, hydrochloride
4-Imidazolylmethanol hydrochloride
1H-Imidazole-4-methanol, hydrochloride
4-(Hydroxymethyl)-1H-imidazole hydrochloride
Imidazole-4-methanol hydrochloride
4-(Hydroxymethyl)imidazole monohydrochloride
1H-Imidazol-4-ylmethanol hydrochloride
1H-Imidazol-5-ylmethanol hydrochloride
Imidazol-4-ylmethanol hydrochloride

Work with 4-(Hydroxymethyl)imidazole hydrochloride

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-Imidazolemethanol822-55-9Free base

Similar compounds

Imidazolyl-4-ethanol872-82-255 % similar Histamine dihydrochloride56-92-855 % similar L-Histidinol dihydrochloride1596-64-154 % similar D(+)-Histidinol dihydrochloride75614-84-554 % similar Imidazoleacetic acid hydrochloride3251-69-253 % similar L-Histidine hydrochloride (1:?)1007-42-746 % similar D-Histidine hydrochloride6341-24-846 % similar L-Histidine monohydrochloride645-35-246 % similar

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

Elsewhere

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