Imidazole-4-acetic acid hydrochloride

HCID 145685CAS 3251-69-2

基本情報

標準SMILES: Cl.O=C(O)Cc1cnc[nH]1
InChIKey: MWHLCFYPFGFBQO-UHFFFAOYSA-N
分子式: C5H7ClN2O2
平均分子量: 162.57 g/mol
単同位体質量: 162.01960514

名称と識別子

優先名称: Imidazole-4-acetic acid hydrochloride
IUPAC: 2-(1H-imidazol-5-yl)acetic acid;hydrochloride

名称と別名

Imidazole-4-acetic acid hydrochlorideRefChem:7907343251-69-24-Imidazoleacetic acid hydrochloride2-(1H-imidazol-5-yl)acetic acid hydrochloride2-(1H-Imidazol-4-Yl)Acetic Acid Hydrochloride4-Imidazoleacetic acid HClMFCD00012698IMIDAZOLEACETIC ACID HCl1H-Imidazole-4-acetic acid, monohydrochloride1H-Imidazole-5-acetic acid hydrochlorideImidazole-4(5)-acetic Acid Hydrochloride

名称をさらに表示

2-(1H-imidazol-5-yl)acetic acid;hydrochlorideImidazoleacetic acid (hydrochloride)ET7A74ROAOimidazole-4-acetic acid monohydrochlorideTox21_500609CS-W007686NCGC00093984-01(1H-imidazol-4-yl)acetic acid hydrochloride

データベース識別子

CAS: 3251-69-2
PubChem CID: 145685
DTXSID: DTXSID00186237
ChEMBL: CHEMBL1256325
UNII: ET7A74ROAO
EC Number: 221-840-6

物性

構造計算による物性

極性表面積: 66 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 116

実験および物理化学的性質

Solubility>24.4 [ug/mL] (The mean of the results at pH 7.4)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (25%)