HCID83795

1-Acetylpiperazine

1-piperazin-1-ylethanone

C6H12N2O128.17 g/molCAS 13889-98-0

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IDENTITY

结构与身份

标准 SMILES: CC(=O)N1CCNCC1
InChIKey: PKDPUENCROCRCH-UHFFFAOYSA-N
分子式: C6H12N2O
平均分子量: 128.17 g/mol
单同位素质量: 128.09496301

COMPUTED

结构计算性质

已同步

XLogP: -0.9
极性表面积: 32.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 108

PROPERTIES

实验与物化性质

来源：PubChem

Dissociation Constants

7.9

GHS

GHS 分类

来源：PubChem

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (17.5%): 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)

Aggregated GHS information provided per 63 reports by companies from 8 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 Irrit. 2 (100%)；Eye Irrit. 2A (98.4%)；STOT SE 3 (17.5%)

ALIASES

名称与别名

共 78 条

1-Acetylpiperazine13889-98-0EINECS 237-659-0DTXSID80160833NSC 39649RefChem:429034DTXCID1083324237-659-0N-Acetylpiperazine1-(piperazin-1-yl)ethan-1-one1-(piperazin-1-yl)ethanone1-piperazin-1-ylethanoneEthanone, 1-(1-piperazinyl)-Piperazine, 1-acetyl-MFCD00058676acetylpiperazine1-piperazin-1-yl-ethanoneA64RRE6QT5NSC-39649n-acetyl piperazine

REACTIONS

参与反应

3 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID139907

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

作为生成物

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

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HRID688748

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

作为生成物

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

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HRID1257109

uspto-grants-2013_06

作为生成物

uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08461339B2

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