HCID251674

4-Ethyl-2-nitroaniline

C8H10N2O2166.18 g/molCAS 3663-35-2

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IDENTITY

结构与身份

标准SMILES: CCc1ccc(N)c([N+](=O)[O-])c1
InChIKey: RUQAPQLDPWSAQM-UHFFFAOYSA-N
分子式: C8H10N2O2
平均分子量: 166.18 g/mol
单同位素质量: 166.07422757

COMPUTED

结构计算性质

等待补全

XLogP: 2.4
极性表面积: 71.8 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 167

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 19 条

4-ethyl-2-nitroaniline3663-35-24-ETHYL-2-NITRO-ANILINE4-ethyl-2-nitrobenzenamineMFCD00034069NSC 723252-nitro-4-ethylanilineNSC72325SCHEMBL1069671SCHEMBL16655546DTXSID30290997RUQAPQLDPWSAQM-UHFFFAOYSA-NNSC-72325AKOS005263755BS-53323DB-340262CS-0168188E82102F693520

REACTIONS

参与反应

17 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829000B2

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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 (8/10) · 10.1039/C8SC04228D

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uspto-grants-1993_12 · 10.6084/m9.figshare.5104873.v1 · US05270309

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uspto-grants-1993_12 · 10.6084/m9.figshare.5104873.v1 · US05270309

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uspto-grants-1993_12 · 10.6084/m9.figshare.5104873.v1 · US05270309

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uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09029377B2

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