Piperazine, 2-pyridylethyl- 分子结构式
HCID566605

Piperazine, 2-pyridylethyl-

1-(2-pyridin-2-ylethyl)piperazine

C11H17N3191.27 g/molCAS 53345-15-6

IDENTITY

结构与身份

标准SMILES
c1ccc(CCN2CCNCC2)nc1
InChIKey
NJUNCRDVGUBYCB-UHFFFAOYSA-N
分子式
C11H17N3
平均分子量
191.27 g/mol
单同位素质量
191.14224756

COMPUTED

结构计算性质

已同步
XLogP
0.2
极性表面积
28.2 Ų
氢键供体
1
氢键受体
3
可旋转键
3
重原子
14
形式电荷
0
复杂度
155

GHS

GHS分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 43 条
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]piperazine1-[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

REACTIONS

参与反应

25
HRID 98 反应方程式

750 AstraZeneca ELN dataset

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HRID 99 反应方程式

750 AstraZeneca ELN dataset

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HRID 100 反应方程式

750 AstraZeneca ELN dataset

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HRID 101 反应方程式

750 AstraZeneca ELN dataset

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HRID 102 反应方程式

750 AstraZeneca ELN dataset

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HRID 155915 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 307720 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 383803 反应方程式

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367676B2

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