157-22-2 (3H-二氮丙啶,3H-Diazirine)

快速询单

结构式：

3H-二氮丙啶MOL文件

CAS号：

157-22-2

中文名称：

3H-二氮丙啶

英文名称：

3H-Diazirine

分子式：

CH₂N₂

分子量：

42.0399794578552

3H-二氮丙啶(157-22-2)名称与标识符

名称

中文别名：

3H-二氮丙啶;

英文别名：

3H-Diazirine;3h-diazirene;Cyclodiazomethane;CHEBI:51620;Q5272198;157-22-2;GKVDXUXIAHWQIK-UHFFFAOYSA-N;DTXSID80166178;

标识符

InChIKey：

GKVDXUXIAHWQIK-UHFFFAOYSA-N

Inchi：

1S/CH2N2/c1-2-3-1/h1H2

SMILES：

N1CN=1

3H-二氮丙啶(157-22-2)物化性质

实验特性

LogP : -0.71910
PSA : 24.72000
折射率 : 1.4180 (estimate)
沸点 : 28.42°C (rough estimate)
密度 : 1.49

计算特性

精确分子量 : 42.02180
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 42.022
重原子数量 : 3
复杂度 : 25.8
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） : 0.3
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 24.7A^2

3H-二氮丙啶(157-22-2)海关数据

海关编码：

2933990090

海关数据：

中国海关编码：

2933990090

概述：

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3H-二氮丙啶(157-22-2)上下游

1,2,3,4-四氢喹啉-6-甲酸甲酯

3H-二氮丙啶(157-22-2)相关文献

1. Evidence for the participation of an isomerization pathway in diazirine photolysis. Study of primary processes and energy partitioning
Juan M. Perez J. Chem. Soc. Faraday Trans. 1 1982 78 3509
2. The preparation and photolysis of 3-aryl-3H-diazirines
Richard A. G. Smith,Jeremy R. Knowles J. Chem. Soc. Perkin Trans. 2 1975 686
3. The preparation and photolysis of 3-aryl-3H-diazirines
Richard A. G. Smith,Jeremy R. Knowles J. Chem. Soc. Perkin Trans. 2 1975 686
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10. Current advances of carbene-mediated photoaffinity labeling in medicinal chemistry
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