HCID433439

1-Ethylpiperidin-3-one hydrochloride

1-ethylpiperidin-3-one

C7H13NO127.18 g/molCAS 41361-28-8

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IDENTITY

结构与身份

标准SMILES: CCN1CCCC(=O)C1
InChIKey: UDMMJJYIAHHNQA-UHFFFAOYSA-N
分子式: C7H13NO
平均分子量: 127.18 g/mol
单同位素质量: 127.09971404

COMPUTED

结构计算性质

已同步

XLogP: 0.5
极性表面积: 20.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 111

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. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 21 条

1-Ethylpiperidin-3-one HClEINECS 255-333-6NSC 3297003-Piperidinone, 1-ethyl-, hydrochlorideRefChem:432647255-333-61-Ethylpiperidin-3-one hydrochloride1-ethylpiperidin-3-one43152-93-81-Ethyl-3-piperidone1-Ethyl-3-piperidinone1-Ethyl-piperidin-3-one3-Piperidinone, 1-ethyl-N-ethyl-3-piperidoneN-ethylpiperid-3-one1-Ethyl-3-piperidinone #SCHEMBL64615SCHEMBL3431239SCHEMBL3431240AKOS006230063

REACTIONS

参与反应

5 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723468

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1977_01 · 10.6084/m9.figshare.5104873.v1 · US04005208

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uspto-grants-1996_11 · 10.6084/m9.figshare.5104873.v1 · US05571819

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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