1-Cyclobutylpiperazine 分子结构式
HCID4738602

1-Cyclobutylpiperazine

C8H16N2140.23 g/molCAS 132800-13-6

IDENTITY

结构与身份

标准SMILES
C1CC(N2CCNCC2)C1
InChIKey
WJJKCJYVIICABH-UHFFFAOYSA-N
分子式
C8H16N2
平均分子量
140.23 g/mol
单同位素质量
140.13134852

COMPUTED

结构计算性质

已同步
XLogP
0.5
极性表面积
15.3 Ų
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
104

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.;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

Acute Tox. 3 (50%);Skin Irrit. 2 (50%);Eye Irrit. 2A (50%);STOT SE 3 (50%)

ALIASES

名称与别名

共 29 条
1-cyclobutylpiperazine132800-13-6DTXSID101314512RefChem:75476DTXCID501460585842-518-71-Cyclobutyl-piperazinePiperazine, 1-cyclobutyl-MFCD062548061-(Cyclobutyl)piperazineSCHEMBL64201SCHEMBL193442SCHEMBL1481868SCHEMBL27468489SCHEMBL27638708SCHEMBL28903035WJJKCJYVIICABH-UHFFFAOYSA-NALBB-035339HFA80013AKOS003587303

REACTIONS

参与反应

40
HRID 16781 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737149B2

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HRID 16782 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737149B2

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HRID 16823 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737149B2

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HRID 16825 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737149B2

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HRID 125563 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 197920 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 297936 反应方程式

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

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HRID 303387 反应方程式

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

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