结构:CCN1CCCC(=O)C1
HCID433439

1-Ethylpiperidin-3-one hydrochloride

1-ethylpiperidin-3-one

C7H13NO127.18 g/molCAS 41361-28-8

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 Ų
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

21
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
HRID1207947

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

作为反应物
HRID 1207947 方程式

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

查看条件与参与物
HRID2156398

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

作为反应物
HRID 2156398 方程式

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

查看条件与参与物