HCID70966

Vanillylamine

4-(aminomethyl)-2-methoxyphenol

C8H11NO2153.18 g/molCAS 1196-92-5

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IDENTITY

结构与身份

标准SMILES: COc1cc(CN)ccc1O
InChIKey: WRPWWVNUCXQDQV-UHFFFAOYSA-N
分子式: C8H11NO2
平均分子量: 153.18 g/mol
单同位素质量: 153.07897859

COMPUTED

结构计算性质

等待补全

XLogP: -0.2
极性表面积: 55.5 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 119

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 53 条

Vanillylamine4-(Aminomethyl)-2-methoxyphenol1196-92-54-Hydroxy-3-methoxybenzylamine1WEZ91E3Z0CAPSIVIROL-TCHEBI:46958DTXSID90152522RefChem:193704DTXCID6075013422-450-0Phenol, 4-(aminomethyl)-2-methoxy-vanillylaminMFCD000445773-Methoxy-4-hydroxybenzylamine4-Aminomethyl-2-methoxy-phenolp-Cresol, .alpha.-amino-2-methoxy-(4-Hydroxy-3-methoxyphenyl)methanamine(3-Methoxy-4-hydroxyphenyl)methylamineEN300-36042

REACTIONS

参与反应

19 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732444B2

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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 (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2005_10 · 10.6084/m9.figshare.5104873.v1 · US06958418B2

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