HCID736532

4-(4-Methylpiperazin-1-yl)benzoic acid

C12H16N2O2220.27 g/molCAS 86620-62-4

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IDENTITY

结构与身份

标准SMILES: CN1CCN(c2ccc(C(=O)O)cc2)CC1
InChIKey: UCFZVQHKTRSZMM-UHFFFAOYSA-N
分子式: C12H16N2O2
平均分子量: 220.27 g/mol
单同位素质量: 220.12117776

COMPUTED

结构计算性质

等待补全

XLogP: -0.9
极性表面积: 43.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 241

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 43 条

4-(4-methylpiperazin-1-yl)benzoic acid86620-62-4DTXSID20353060RefChem:288179DTXCID70304123630-102-64-(4-Methylpiperazino)benzoic acidMFCD026820634-(4-methylpiperazinyl)benzoic acid4-(4-Methyl-piperazin-1-yl)-benzoic acid354813-15-34-(4-METHYL-1-PIPERAZINYL)BENZOIC ACIDCHEMBL23268824-(4-Methyl-piperazino)benzoic acidBenzoic acid, 4-(4-methyl-1-piperazinyl)-14NOprea1_607890Oprea1_658124SCHEMBL63450BDBM50490491

REACTIONS

相关反应

25 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737149B2

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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 (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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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877778B2

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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08101610B2

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08476434B2

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

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