CAS 32673-41-9|4-(Hydroxymethyl)imidazole hydrochloride|1H-imidazol-4-ylmethanol hydrochloride|4-(hydroxymethyl)imidazole hydrochloride|4-Imidazolemethanol hydrochloride|1H-imidazol-5-ylmethanol hyd...

General Information

Structure

Molecular Formula

C₄H₇ClN₂O

Molecular Mass

134.56418

Exact Mass

134.02469053

Charge

InChI

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

InChIKey

WFNASTYGEKUMIY-UHFFFAOYSA-N

Canonic Smiles

OCc1c[nH]cn1.Cl

Isomeric Smiles

[nH]1cc(nc1)CO.Cl

Calculated Properties

JChem

Acid pKa

12.725339

H Acceptors

H Donor

LogD (pH = 5.5)

-1.34526

LogD (pH = 7.4)

-0.8466268

Log P

-0.8311021

Molar Refractivity

25.3065

Polarizability

9.626726

Polar Surface Area

48.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1H-imidazol-4-ylmethanol hydrochloride 1H-imidazol-5-ylmethanol hydrochloride (1H-imidazol-4-yl)methanol hydrochloride

IUPAC Traditional name

4-(hydroxymethyl)imidazole hydrochloride imidazole-4-methanol hydrochloride 3H-imidazol-4-ylmethanol hydrochloride

Synonyms

4-(Hydroxymethyl)imidazole hydrochloride4-HYDROXYMETHYLIMIDAZOLE4-Imidazolemethanol hydrochloride(1H-imidazol-5-yl)methanol hydrochloride5-(Hydroxymethyl)-1H-imidazole hydrochloride(1H-Imidazol-4-yl)methanol hydrochloride4-(Hydroxymethyl)-1H-imidazole hydrochloride 98+%4-Hydroxymethylimidazole hydrochloride4-羟甲基咪唑盐酸盐4-Imidazolemethanol hydrochloride4-(羟基甲基)咪唑盐酸盐4-Imidazolemethanol hydrochloride1H-imidazol-5-ylmethanol hydrochloride1H-Imidazol-5-ylmethanol Hydrochloride4-(Hydroxymethyl)imidazole, Hydrochloride1H-Imidazole-4-methanol Monohydrochloride4-Imidazolemethanol, Hydrochloride4-(Hydroxymethyl)imidazole hydrochloride

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

Beilstein Number

PubChem SID

2427846224853153162029832