HCID11983730

tert-butyl N-(1-(4-bromophenyl)ethyl)carbamate

tert-butyl N-[1-(4-bromophenyl)ethyl]carbamate

C13H18BrNO2300.19 g/molCAS 850363-42-7

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IDENTITY

结构与身份

标准SMILES: CC(NC(=O)OC(C)(C)C)c1ccc(Br)cc1
InChIKey: KECPRZHCNCDSET-UHFFFAOYSA-N
分子式: C13H18BrNO2
平均分子量: 300.19 g/mol
单同位素质量: 299.05209

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 38.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 4
重原子: 17
形式电荷: 0
复杂度: 255

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H413 (98.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 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

Acute Tox. 4 (100%)；Aquatic Chronic 4 (98.5%)

ALIASES

名称与别名

共 29 条

Tert-butyl N-[1-(4-bromophenyl)ethyl]carbamatetert-butyl N-(1-(4-bromophenyl)ethyl)carbamateRefChem:895252809-643-9850363-42-7tert-Butyl (1-(4-bromophenyl)ethyl)carbamate[1-(4-bromo-phenyl)-ethyl]-carbamic acid tert-butyl esterMFCD11506012Carbamic acid, [1-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl estertert-Butyl [1-(4-bromophenyl)ethyl]carbamatetert-butyl 1-(4-bromophenyl)ethylcarbamateN-Boc-4-bromo-alpha-methylbenzylamineSCHEMBL167410DTXSID90475162KECPRZHCNCDSET-UHFFFAOYSA-NAKOS013102146SB37769SB38988SB39019AS-48706

REACTIONS

参与反应

12 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835472B2

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

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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

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