2-Pyridineacetic acid, hydrochloride (1:1)

HCID 85317CAS 16179-97-8

基本情報

標準SMILES: Cl.O=C(O)Cc1ccccn1
InChIKey: MQVISALTZUNQSK-UHFFFAOYSA-N
分子式: C7H8ClNO2
平均分子量: 173.6 g/mol
単同位体質量: 173.02435618

名称と識別子

優先名称: 2-Pyridineacetic acid, hydrochloride (1:1)
IUPAC: 2-pyridin-2-ylacetic acid;hydrochloride

名称と別名

16179-97-82-Pyridylacetic acid hydrochloride2-Pyridineacetic acid hydrochloride2-Pyridineacetic acid, hydrochloride2-Pyridineacetic acid, hydrochloride (1:1)EINECS 240-316-8NSC 83227DTXSID70884874RefChem:89350DTXCID2010242952-(Pyridin-2-Yl)Acetic Acid Hydrochloridepyridin-2-ylacetic acid hydrochloride

名称をさらに表示

MFCD000128122-pyridylacetic acid HCl2-Carboxymethylpyridinium chloride(pyridin-2-yl)acetic acid hydrochloride2'-Pyridylacetic Acid HydrochlorideNSC-832277YM2824V242-pyridin-2-ylacetic acid;hydrochloride

データベース識別子

CAS: 16179-97-8
PubChem CID: 85317
DTXSID: DTXSID70884874
UNII: 7YM2824V24
EC Number: 240-316-8

物性

構造計算による物性

極性表面積: 50.2 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 125

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.