HCID22713

N-Benzyl-2-chloroethan-1-amine

N-benzyl-2-chloroethanamine

C9H12ClN169.65 g/molCAS 42074-16-8

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IDENTITY

结构与身份

标准SMILES: ClCCNCc1ccccc1
InChIKey: XTXGPBAONFJRNO-UHFFFAOYSA-N
分子式: C9H12ClN
平均分子量: 169.65 g/mol
单同位素质量: 169.0658271

COMPUTED

结构计算性质

已同步

XLogP: 2.1
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: 11
形式电荷: 0
复杂度: 89

ALIASES

名称与别名

共 30 条

42074-16-8N-Benzyl-2-chloroethan-1-amineDTXSID70274731RefChem:1091576DTXCID30226190N-Benzyl-N-(2-chloroethyl)amineN-benzyl-2-chloroethanamineN-Benzyl-2-chloroethylamineN-Benzyl-2-chloro-ethanamineMFCD01005550benzyl(2-chloroethyl)amineN-(2-Chloroethyl)benzylamineN-(2-chloroethyl)benzenemethanamine(2-chloroethyl)benzylamineN-Benzyl-2-chlorethylamineSCHEMBL7332231SCHEMBL10657165XTXGPBAONFJRNO-UHFFFAOYSA-NGAA28863NSC238116

REACTIONS

参与反应

13 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 (8/10) · 10.1039/C8SC04228D

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uspto-grants-1991_09 · 10.6084/m9.figshare.5104873.v1 · US05051422

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uspto-grants-1991_09 · 10.6084/m9.figshare.5104873.v1 · US05051422

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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