HCID3530572

1-Tert-butylpiperazine

C8H18N2142.24 g/molCAS 38216-72-7

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)N1CCNCC1
InChIKey: PVMNSAIKFPWDQG-UHFFFAOYSA-N
分子式: C8H18N2
平均分子量: 142.24 g/mol
单同位素质量: 142.14699858

COMPUTED

结构计算性质

已同步

XLogP: 0.6
极性表面积: 15.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 98

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H400 (97.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Corr. 1B (97.8%)；Aquatic Acute 1 (97.8%)

ALIASES

名称与别名

共 36 条

1-tert-butylpiperazine38216-72-7DTXSID90393372RefChem:235444DTXCID80344232630-932-9N-tert-Butylpiperazine1-(tert-Butyl)piperazineN-t-ButylpiperazineMFCD000493591-tert-butyl-piperazine1-T-butyl piperazinePiperazine, 1-(1,1-dimethylethyl)-tert-butylpiperazinetert-butyl piperazineN-t-butyl piperazine1-tert-butyl piperazine4-tert-butyl-piperazine1,1-dimethylethylpiperazineSCHEMBL104919

REACTIONS

参与反应

54 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530477B2

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440922B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846647B2

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

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

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

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

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

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