2-(Piperidin-1-yl)acetic acid hydrochloride

HCID 201096CAS 3235-68-5

基本情報

標準SMILES: Cl.O=C(O)CN1CCCCC1
InChIKey: WKVJGLBBPPFCGD-UHFFFAOYSA-N
分子式: C7H14ClNO2
平均分子量: 179.64 g/mol
単同位体質量: 179.07130637

名称と識別子

優先名称: 2-(Piperidin-1-yl)acetic acid hydrochloride
IUPAC: 2-piperidin-1-ylacetic acid;hydrochloride

名称と別名

2-(piperidin-1-yl)acetic acid hydrochlorideRefChem:461849817-498-83235-68-5Piperidin-1-yl-acetic acid hydrochloride1-Piperidineacetic acid, hydrochloridePiperidinoacetic acid hydrochloride(Piperidin-1-yl)acetic acid hydrochlorideMFCD01701566Piperidin-1-ylacetic acid hydrochloride2-piperidin-1-ylacetic acid;hydrochlorideN-Carboxymethylpiperidine hydrochloride

名称をさらに表示

2-(1-piperidyl)acetic acid;hydrochlorideMLS000715451SCHEMBL863867CHEMBL1546923DTXSID60186071WKVJGLBBPPFCGD-UHFFFAOYSA-NDAA235681-piperidineacetic acid hydrochloride

データベース識別子

CAS: 3235-68-5
PubChem CID: 201096
DTXSID: DTXSID60186071
ChEMBL: CHEMBL1546923
EC Number: 817-498-8

物性

構造計算による物性

極性表面積: 40.5 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: 119

実験および物理化学的性質

Solubility23.8 [ug/mL] (The mean of the results at pH 7.4)

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.