HCID13910894

N-(pyrazinylmethyl)ethylenediamine

N'-(pyrazin-2-ylmethyl)ethane-1,2-diamine

C7H12N4152.2 g/mol

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IDENTITY

结构与身份

标准SMILES: NCCNCc1cnccn1
InChIKey: MAQFCFYHXUCOMY-UHFFFAOYSA-N
分子式: C7H12N4
平均分子量: 152.2 g/mol
单同位素质量: 152.1061964

COMPUTED

结构计算性质

已同步

XLogP: -1.8
极性表面积: 63.8 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 4
重原子: 11
形式电荷: 0
复杂度: 96

ALIASES

名称与别名

共 6 条

SCHEMBL7993908MAQFCFYHXUCOMY-UHFFFAOYSA-NN-(pyrazinylmethyl)ethylenediamineN-(pyrazinylmethyl) ethylenediamineN-(2-pyrazinylmethyl)ethylenediamineAKOS012055112

REACTIONS

参与反应

76 条

uspto-grants-1995_06 · 10.6084/m9.figshare.5104873.v1 · US05428032

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uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04151288

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uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04151288

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uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04221802

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uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04221802

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uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04221802

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uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04221802

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

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