HCID123870

4-Iodo-alpha-methylbenzeneethanamine

1-(4-iodophenyl)propan-2-amine

C9H12IN261.1 g/molCAS 21894-72-4

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IDENTITY

结构与身份

标准SMILES: CC(N)Cc1ccc(I)cc1
InChIKey: VZPKOWYCGWOYRF-UHFFFAOYSA-N
分子式: C9H12IN
平均分子量: 261.1 g/mol
单同位素质量: 261.00145

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 26 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 108

ALIASES

名称与别名

共 24 条

1-(4-iodophenyl)propan-2-amine4-iodoamphetamine21894-72-4C4UL3HTE7TDTXSID208972324-Iodo-alpha-methylbenzeneethanamineRefChem:912619DTXCID601326621para-Iodoamphetaminep-IODOAMPHETAMINECHEMBL63682-(4-Iodo-phenyl)-1-methyl-ethylamineUNII-C4UL3HTE7T(I123)-IodoamphetamineSCHEMBL166055VZPKOWYCGWOYRF-UHFFFAOYSA-N1-(4-iodophenyl)propane-2-amineBDBM50003582AKOS009158591Benzeneethanamine, 4-iodo-alpha-methyl-

REACTIONS

相关反应

3 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835472B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835472B2

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

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