HCID545701

tert-butyl N-(1-hydroxypropan-2-yl)carbamate

C8H17NO3175.23 g/molCAS 147252-84-4

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IDENTITY

结构与身份

标准SMILES: CC(CO)NC(=O)OC(C)(C)C
InChIKey: PDAFIZPRSXHMCO-UHFFFAOYSA-N
分子式: C8H17NO3
平均分子量: 175.23 g/mol
单同位素质量: 175.1208434

COMPUTED

结构计算性质

已同步

XLogP: 0.7
极性表面积: 58.6 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 4
重原子: 12
形式电荷: 0
复杂度: 151

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H228 (100%): Flammable solid [Danger Flammable solids]；H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P210, P240, P241, P264, P270, P280, P301+P316, P321, P330, P370+P378, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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

Flam. Sol. 2 (100%)；Acute Tox. 3 (100%)

ALIASES

名称与别名

共 52 条

tert-butyl N-(1-hydroxypropan-2-yl)carbamateRefChem:895372626-862-3147252-84-4tert-Butyl (1-hydroxypropan-2-yl)carbamateN-Boc-DL-alaninolN-tert-Butyloxycarbonyl DL-AlaninolN-Boc-DL-2-amino-1-propanolMFCD04973335Carbamic acid, N-(2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl esterTERT-BUTYL 1-HYDROXYPROPAN-2-YLCARBAMATEN-BOC-D/L-ALANINOLN-BOC-2-Amino-1-propanol(2-Hydroxy-1-methylethyl)-carbamic Acid 1,1-Dimethylethyl EsterN-tert-Butoxycarbonyl-L-alaninol(R)-(+)-2-(tert-Butoxycarbonylamino)-1-propanolCarbamic acid, (2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl esterN-((1S)-2-hydroxy-isopropyl)(tert-butoxy)carboxamide2-(boc-amino)-1-propanolSCHEMBL69002

REACTIONS

参与反应

26 条

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 (9/10) · 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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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 (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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