HCID20133045

1-Methyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

1,4,4-trimethyl-2,3-dihydro-1H-isoquinoline

C12H17N175.27 g/molCAS 41565-98-4

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IDENTITY

结构与身份

标准SMILES: CC1NCC(C)(C)c2ccccc21
InChIKey: WFCIESMNRLUMTR-UHFFFAOYSA-N
分子式: C12H17N
平均分子量: 175.27 g/mol
单同位素质量: 175.13609955

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 12 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 13
形式电荷: 0
复杂度: 186

ALIASES

名称与别名

共 9 条

41565-98-41,2,3,4-Tetrahydro-1,4,4-trimethylisoquinolineSCHEMBL95098631-methyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinolineWFCIESMNRLUMTR-UHFFFAOYSA-NDTXSID801248588AKOS006317689DB-3901371,4,4-Trimethyl-1,2,3,4-tetrahydroisoquinoline

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1988_07 · 10.6084/m9.figshare.5104873.v1 · US04755218

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