HCID576503

2,3,4,5-tetrahydro-1H-1-benzazepine

C10H13N147.22 g/molCAS 1701-57-1

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IDENTITY

结构与身份

标准SMILES: c1ccc2c(c1)CCCCN2
InChIKey: MZBVNYACSSGXID-UHFFFAOYSA-N
分子式: C10H13N
平均分子量: 147.22 g/mol
单同位素质量: 147.10479942

COMPUTED

结构计算性质

等待补全

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: 11
形式电荷: 0
复杂度: 122

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 42 条

2,3,4,5-Tetrahydro-1H-1-benzazepineRefChem:441681837-248-12,3,4,5-Tetrahydro-1H-benzo[b]azepine1701-57-11H-1-Benzazepine, 2,3,4,5-tetrahydro-MFCD00272363tetrahydrobenzazepine1,2,3,4-tetrahydro-5H-1-benzazepineSCHEMBL8326SCHEMBL24119SCHEMBL155050SCHEMBL378567orb3029529SCHEMBL1493703SCHEMBL1493705SCHEMBL13279465SCHEMBL13281552SCHEMBL21800939SCHEMBL29373532

REACTIONS

参与反应

92 条

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05242912

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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741317B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829204B2

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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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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 (9/10) · 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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