CAS 3251-69-2|2-(1H-imidazol-4-yl)acetic acid hydrochloride|1H-imidazole-4-acetic acid hydrochloride|4-Imidazoleacetic acid hydrochloride|IMIDAZOLEACETIC ACID HYDROCHLORIDE|imidazole-4-acetic acid h...

General Information

Structure

Molecular Formula

C₅H₇ClN₂O₂

Molecular Mass

162.57428

Exact Mass

162.01960515

Charge

InChI

InChI=1S/C5H6N2O2.ClH/c8-5(9)1-4-2-6-3-7-4;/h2-3H,1H2,(H,6,7)(H,8,9);1H

InChIKey

MWHLCFYPFGFBQO-UHFFFAOYSA-N

Canonic Smiles

OC(=O)Cc1c[nH]cn1.Cl

Isomeric Smiles

c1[nH]cc(n1)CC(=O)O.Cl

Calculated Properties

JChem

Acid pKa

3.5250373

H Acceptors

H Donor

LogD (pH = 5.5)

-1.425476

LogD (pH = 7.4)

-2.2428448

Log P

-1.397158

Molar Refractivity

29.9484

Polarizability

11.428191

Polar Surface Area

65.98

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1H-imidazole-4-acetic acid hydrochloride imidazole-4-acetic acid hydrochloride IMAC hydrochloride

Synonyms

4-Imidazoleacetic acid hydrochlorideIMIDAZOLEACETIC ACID HYDROCHLORIDEIMIDAZOLE-4-ACETIC ACID HYDROCHLORIDE(4-咪唑基)乙酸盐酸盐I4AA4-Imidazoleacetic acid hydrochloride(4-Imidazolyl)acetic acid hydrochloride4-咪唑乙酸盐酸盐Imidazole-4-acetic acid monohydrochloride2-(1H-Imidazol-5-yl)acetic acid hydrochloride咪唑-4-乙酸单盐酸盐

IUPAC name

2-(1H-imidazol-4-yl)acetic acid hydrochloride 2-(1H-imidazol-5-yl)acetic acid hydrochloride

Names and Identifiers

Registration numbers

EC Number

CAS Number

Beilstein Number

MDL Number