157-23-3 ((1H-Diazirine)

快速询单

结构式：

1H-DiazirineMOL文件

CAS号：

157-23-3

英文名称：

1H-Diazirine

分子式：

CH₂N₂

分子量：

42.0399794578552

1H-Diazirine(157-23-3)名称与标识符

名称

英文别名：

1H-Diazirine;Isodiazirine;157-23-3;DTXSID10579732;CHEBI:51622;Q27122688;1H-Diazirene;

标识符

InChIKey：

KFJGTWZIOKFALT-UHFFFAOYSA-N

Inchi：

1S/CH2N2/c1-2-3-1/h1H,(H,2,3)

SMILES：

N1C=N1

1H-Diazirine(157-23-3)物化性质

实验特性

PSA : 34.3

计算特性

精确分子量 : 42.02186
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 42.021798072g/mol
重原子数量 : 3
复杂度 : 29.8
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -0.4
拓扑分子极性表面积 : 34.3Å²

1H-Diazirine(157-23-3)相关文献

1. Bond-shift isomers: the co-existence of allenic and propargylic phenylnitrile imines
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5. Development and application of diazirines in biological and synthetic macromolecular systems
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8. Photoelimination of nitrogen from adamantane and pentacycloundecane (PCU) diazirines: a spectroscopic study and supramolecular control
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9. Developing diazirine-based chemical probes to identify histone modification ‘readers’ and ‘erasers’
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10. The photoionisation of two phenylcarbenes and their diazirine precursors investigated using synchrotron radiation
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