HCID10197622

2-(Dimethylamino)acetaldehyde

C4H9NO87.12 g/molCAS 52334-92-6

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IDENTITY

结构与身份

标准SMILES: CN(C)CC=O
InChIKey: GRWPTSXPZYCYOM-UHFFFAOYSA-N
分子式: C4H9NO
平均分子量: 87.12 g/mol
单同位素质量: 87.06841391

COMPUTED

结构计算性质

已同步

XLogP: -0.2
极性表面积: 20.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 6
形式电荷: 0
复杂度: 42

ALIASES

名称与别名

共 22 条

2-(Dimethylamino)acetaldehyde52334-92-6DTXSID601026405RefChem:1061764DTXCID40941862(dimethylamino)acetaldehydeAcetaldehyde, (dimethylamino)-SCHEMBL5038SCHEMBL200206orb1706315SCHEMBL3820395SCHEMBL27717671GRWPTSXPZYCYOM-UHFFFAOYSA-NAKOS011011204SB85402DA-27714PD156693HY-100061CS-0018041D87734

REACTIONS

相关反应

6 条

uspto-grants-1978_12 · 10.6084/m9.figshare.5104873.v1 · US04131677

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-1977_07 · 10.6084/m9.figshare.5104873.v1 · US04038396

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uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09102685B2

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

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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