4-Methylpiperidin-4-ol 分子结构式
HCID15649174

4-Methylpiperidin-4-ol

C6H13NO115.17 g/molCAS 3970-68-1

IDENTITY

结构与身份

标准SMILES
CC1(O)CCNCC1
InChIKey
CXBLQEIODBBSQD-UHFFFAOYSA-N
分子式
C6H13NO
平均分子量
115.17 g/mol
单同位素质量
115.09971404

COMPUTED

结构计算性质

已同步
XLogP
-0.1
极性表面积
32.3 Ų
氢键供体
2
氢键受体
2
可旋转键
0
重原子
8
形式电荷
0
复杂度
76

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H314 (60%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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

Skin Corr. 1B (60%);Skin Irrit. 2 (40%);Eye Irrit. 2 (40%)

ALIASES

名称与别名

共 28 条
4-METHYLPIPERIDIN-4-OL3970-68-1DTXSID30576304RefChem:294667DTXCID50527075813-671-74-HYDROXY-4-METHYLPIPERIDINE4-Methyl-piperidin-4-olMFCD111009934-methyl-4-piperidinol4-PIPERIDINOL, 4-METHYL-4-methylpiperid-4-olHydroxy-4-methylpiperidineSCHEMBL868574-methyl-4-hydroxypiperidineSCHEMBL7397574-hydroxy-4 methyl-piperidine4-hydroxy-4-methyl-piperidineSCHEMBL4523643SCHEMBL19128040

REACTIONS

参与反应

102
HRID 16988 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737283B2

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HRID 16989 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737283B2

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HRID 18360 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741347B2

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HRID 19883 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745479B2

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HRID 60244 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440976B2

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HRID 68262 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822444B2

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HRID 69512 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822495B2

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HRID 101572 反应方程式

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

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