HCID4717029

N-(4-chlorobenzyl)butan-2-amine

N-[(4-chlorophenyl)methyl]butan-2-amine

C11H16ClN197.7 g/molCAS 46234-40-6

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IDENTITY

结构与身份

标准SMILES: CCC(C)NCc1ccc(Cl)cc1
InChIKey: DZPDICODYXMPSW-UHFFFAOYSA-N
分子式: C11H16ClN
平均分子量: 197.7 g/mol
单同位素质量: 197.0971272

COMPUTED

结构计算性质

等待补全

XLogP: 3.2
极性表面积: 12 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 4
重原子: 13
形式电荷: 0
复杂度: 130

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 19 条

46234-40-6N-(4-chlorobenzyl)butan-2-amineDTXSID60405890RefChem:361852DTXCID10356742(butan-2-yl)[(4-chlorophenyl)methyl]amineN-[(4-chlorophenyl)methyl]butan-2-amineMFCD04558993N-(4-CHLOROBENZYL)-2-BUTANAMINESCHEMBL11118726DZPDICODYXMPSW-UHFFFAOYSA-NBBL025796STL372680N-(4-chlorobenzyl)N-sec.-butylamineAKOS000228487AKOS017268627N-(4-chlorobenzyl)-N-sec.-butylamineVS-08102EN300-167222

REACTIONS

参与反应

4 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 (6/10) · 10.1039/C8SC04228D

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uspto-grants-1977_07 · 10.6084/m9.figshare.5104873.v1 · US04036986

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uspto-grants-1977_03 · 10.6084/m9.figshare.5104873.v1 · US04010281

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