HCID558685

1-[2-(4-Pyridinyl)ethyl]piperazine

1-(2-pyridin-4-ylethyl)piperazine

C11H17N3191.27 g/molCAS 53345-16-7

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IDENTITY

结构与身份

标准SMILES: c1cc(CCN2CCNCC2)ccn1
InChIKey: PXJMEKXBONLMNG-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: 0.5
极性表面积: 28.2 Å²
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: 149

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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

Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 38 条

53345-16-71-[2-(4-Pyridinyl)ethyl]piperazine1-(2-(4-Pyridinyl)ethyl)piperazineRefChem:2230561-[2-(pyridin-4-yl)ethyl]piperazine1-(2-pyridin-4-ylethyl)piperazine1-(2-(Pyridin-4-yl)ethyl)piperazine1-(2-Pyridin-4-yl-ethyl)-piperazineMFCD030945841-(2-(4-pyridylethyl))piperazine1-[2-(4-pyridyl)ethyl]piperazinePiperazine, 1-[2-(4-pyridinyl)ethyl]- (9CI)1-(2-Pyridin-4-yl-ethyl)piperazine(2-(4-pyridyl)ethyl)piperazine1-[2-(4-pyridylethyl)]piperazine1-(2-(4-Pyridylethyl))-PiperazineSCHEMBL1935424SCHEMBL4576469DTXSID301296437ALBB-005748

REACTIONS

参与反应

6 条

uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08623859B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08623859B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-1994_10 · 10.6084/m9.figshare.5104873.v1 · US05354747

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uspto-grants-1994_10 · 10.6084/m9.figshare.5104873.v1 · US05354747

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