tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate 分子结构式
HCID12992764

tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate

C11H19NO3213.27 g/molCAS 190906-92-4

IDENTITY

结构与身份

标准SMILES
CC1CC(=O)CCN1C(=O)OC(C)(C)C
InChIKey
HQMYWQCBINPHBB-UHFFFAOYSA-N
分子式
C11H19NO3
平均分子量
213.27 g/mol
单同位素质量
213.13649347

COMPUTED

结构计算性质

已同步
XLogP
1
极性表面积
46.6 Ų
氢键供体
0
氢键受体
3
可旋转键
2
重原子
15
形式电荷
0
复杂度
267

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (75%): 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.;There are 3 notifications provided by 3 of 4 reports by companies with hazard statement code(s).;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

Acute Tox. 4 (25%);Skin Irrit. 2 (75%);Eye Irrit. 2A (75%);Acute Tox. 4 (25%);STOT SE 3 (75%)

ALIASES

名称与别名

共 48 条
190906-92-4tert-butyl 2-methyl-4-oxopiperidine-1-carboxylateDTXSID30514524RefChem:188186DTXCID40465331676-378-11-Boc-2-methyl-4-piperidinone1-boc-2-methylpiperidin-4-one1-boc-2-methyl-piperidin-4-onetert-butyl 2-Methyl-4-oxo-piperidine-1-carboxylateMFCD040356081-piperidinecarboxylic acid, 2-methyl-4-oxo-, 1,1-dimethylethyl ester1-(tert-butoxycarbonyl)-2-methylpiperidin-4-one1,1-DIMETHYLETHYL 2-METHYL-4-OXO-1-PIPERIDINECARBOXYLATE2-Methyl-4-oxo-piperidine-1-carboxylic acid tert-butyl esterTert-butyl (2S)-2-methyl-4-oxo-piperidine-1-carboxylateN-Boc-2-methyl-4-piperidoneSCHEMBL432224SCHEMBL282026031-Boc-2-methyl-4-oxopiperidine

REACTIONS

参与反应

31
HRID 80677 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846675B2

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HRID 99077 反应方程式

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

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HRID 140465 反应方程式

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

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HRID 183698 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 203927 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 386534 反应方程式

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08372837B2

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HRID 523947 反应方程式

uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09340499B2

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HRID 541291 反应方程式

uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08871790B2

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