HCID1512535

tert-butyl N-(4-oxocyclohexyl)carbamate

C11H19NO3213.27 g/molCAS 179321-49-4

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)NC1CCC(=O)CC1
InChIKey: WYVFPGFWUKBXPZ-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: 1.2
极性表面积: 55.4 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 245

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H400 (95.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory.；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

Aquatic Acute 1 (95.2%)

ALIASES

名称与别名

共 50 条

tert-butyl N-(4-oxocyclohexyl)carbamateRefChem:896166672-405-6179321-49-4N-4-Boc-aminocyclohexanonetert-Butyl (4-oxocyclohexyl)carbamate4-N-Boc-Aminocyclohexanone4-(boc-amino)cyclohexanonetert-butyl 4-oxocyclohexylcarbamateMFCD00798168Carbamic acid, N-(4-oxocyclohexyl)-, 1,1-dimethylethyl ester(4-oxocyclohexyl)carbamic acid tert-butyl ester(4-oxo-cyclohexyl)-carbamic acid tert-butyl ester4-(N-BOC-AMINO)CYCLOHEXANONE4-(TERT-BUTOXYCARBONYLAMINO)CYCLOHEXANONEN-Boc-4-Aminocyclohexanone1,1-dimethylethyl (4-oxocyclohexyl)carbamateF2167-1221(tert-butoxy)-N-(4-oxocyclohexyl)carboxamidetert-butyl(4-oxocyclohexyl)carbamate

REACTIONS

参与反应

113 条

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06849622B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822507B2

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

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

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uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08658646B2

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uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08658646B2

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uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07528148B2

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07767854B2

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