1-[2-(ピリジン-2-イル)エチル]ピペラジン

Piperazine, 2-pyridylethyl-

HCID 566605CAS 53345-15-6

部分構造検索類似構造を探す

基本情報

標準SMILES: c1ccc(CCN2CCNCC2)nc1
InChIKey: NJUNCRDVGUBYCB-UHFFFAOYSA-N
分子式: C11H17N3
平均分子量: 191.27 g/mol
単同位体質量: 191.14224756

名称と識別子

優先名称: Piperazine, 2-pyridylethyl-
IUPAC: 1-(2-pyridin-2-ylethyl)piperazine
現地名: 1-[2-(ピリジン-2-イル)エチル]ピペラジン
英語名: 1-(2-Pyridin-2-yl-ethyl)-piperazine
分子式: C11H17N3
分子量: 191.27

名称と別名

Piperazine, 2-pyridylethyl-2-Pyridylethylpiperazine63732-26-3DTXSID70213160RefChem:372641DTXCID7013565153345-15-61-(2-Pyridin-2-yl-ethyl)-piperazine1-(2-(pyridin-2-yl)ethyl)piperazine1-(2-pyridin-2-ylethyl)piperazine1-[2-(2-Pyridinyl)ethyl]piperazine1-[2-(pyridin-2-yl)ethyl]piperazine

名称をさらに表示

1-[2-(ピリジン-2-イル)エチル]ピペラジンAlbb-005747AKOS BBS-00005946TIMTEC-BB SBB010070Gadobutrol Impurity 1432-[2-(Piperazin-1-yl)ethyl]pyridinePiperazine, 1-[2-(2-pyridinyl)ethyl]-

1-[2-(2-pyridyl)ethyl]piperazineMFCD017486451-(2-Pyridin-2-yl-ethyl)piperazine1-(2-(2-pyridylethyl))-piperazine1-[2-(2-pyridylethyl)]piperazine2-(2-Piperidin-1-yl-ethyl)-pyridine(2-(2-pyridyl)ethyl)piperazineSCHEMBL931507

データベース識別子

CAS: 53345-15-6、63732-26-3
PubChem CID: 566605
DTXSID: DTXSID70213160
EC Number: 673-691-5

物性

構造計算による物性

XLogP: 0.2
極性表面積: 28.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 14
形式電荷: 0
複雑度: 155

物理化学的性質

沸点: 306.1 · 306.1±27.0 °C(Predicted)
比重(密度): 1.033 · 1.033±0.06 g/cm3(Predicted)
酸解離定数(Pka): 9.16 · 9.16±0.10(Predicted)
外見: Solid
CAS データベース: 53345 · 53345-15-6(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.