HCID21979917

N-(tert-butoxycarbonyl)-N'-(5-isoquinolyl)ethylenediamine

tert-butyl N-[2-(isoquinolin-5-ylamino)ethyl]carbamate

C16H21N3O2287.36 g/molCAS 651309-89-6

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)NCCNc1cccc2cnccc12
InChIKey: FUZFOYFSHUTVLN-UHFFFAOYSA-N
分子式: C16H21N3O2
平均分子量: 287.36 g/mol
单同位素质量: 287.16337692

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 63.3 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 6
重原子: 21
形式电荷: 0
复杂度: 341

ALIASES

名称与别名

共 7 条

651309-89-6tert-Butyl (2-(isoquinolin-5-ylamino)ethyl)carbamateN-(tert-butoxycarbonyl)-N'-(5-isoquinolyl)ethylenediamineSCHEMBL5664894DTXSID80621095FUZFOYFSHUTVLN-UHFFFAOYSA-Ntert-Butyl {2-[(isoquinolin-5-yl)amino]ethyl}carbamate

REACTIONS

参与反应

4 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094789B2

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094789B2

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

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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