HCID12284277

3-Methylpiperidin-4-one

C6H11NO113.16 g/molCAS 5773-58-0

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准 SMILES: CC1CNCCC1=O
InChIKey: KTWRIXHINMYODR-UHFFFAOYSA-N
分子式: C6H11NO
平均分子量: 113.16 g/mol
单同位素质量: 113.08406397

COMPUTED

结构计算性质

已同步

XLogP: -0.2
极性表面积: 29.1 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 8
形式电荷: 0
复杂度: 101

GHS

GHS 分类

来源：PubChem

GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 20 条

3-methylpiperidin-4-oneRefChem:504317852-342-25773-58-03-methyl-4-piperidone3-Methyl-piperidin-4-oneMFCD077875964-Piperidinone, 3-methyl-SCHEMBL1019220SCHEMBL27532931DTXSID60484327KTWRIXHINMYODR-UHFFFAOYSA-NALBB-030108CS-D0300AKOS004122967SB37758DS-12740DB-072282EN300-68233F304246

REACTIONS