HCID19485

3,5-Dimethylpyridin-1-ium-1-olate

3,5-dimethyl-1-oxidopyridin-1-ium

C7H9NO123.15 g/molCAS 3718-65-8

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IDENTITY

结构与身份

标准SMILES: Cc1cc(C)c[n+]([O-])c1
InChIKey: SSTLCMOZTCLOLQ-UHFFFAOYSA-N
分子式: C7H9NO
平均分子量: 123.15 g/mol
单同位素质量: 123.06841391

COMPUTED

结构计算性质

等待补全

XLogP: 0.6
极性表面积: 25.5 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 84

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 35 条

3,5-dimethylpyridin-1-ium-1-olateRefChem:487049628-076-63718-65-83,5-DIMETHYLPYRIDINE-N-OXIDE3,5-dimethylpyridine 1-oxide3,5-Dimethylpyridine N-oxide3,5-Dimethylpyridine-1-oxide3,5-dimethyl-1-oxidopyridin-1-iumMFCD00126839Pyridine, 3,5-dimethyl-, 1-oxideOmeprazole Impurity 66NSC2722713,5-Lutidine N-Oxide3,5-Lutidine, 1-oxideVHA4C683RA3,5-dimethylpyridine1-oxideSCHEMBL8918643,5-dimethyl-pyridine-N-oxideDTXSID50190662

REACTIONS

参与反应

8 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835423B2

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

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uspto-grants-1991_11 · 10.6084/m9.figshare.5104873.v1 · US05066810

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uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08563541B2

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uspto-grants-2015_06 · 10.6084/m9.figshare.5104873.v1 · US09056865B2

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uspto-grants-2015_06 · 10.6084/m9.figshare.5104873.v1 · US09056865B2

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