288-30-2 ((4H-Imidazole)

快速询单

结构式：

4H-ImidazoleMOL文件

CAS号：

288-30-2

英文名称：

4H-Imidazole

分子式：

C₃H₄N₂

分子量：

68.077260017395

4H-Imidazole(288-30-2)名称与标识符

名称

英文别名：

4H-Imidazole;DTXSID00508718;Q27122766;288-30-2;CHEBI:51802;LGRQUXHYJBFGTM-UHFFFAOYSA-N;

标识符

InChIKey：

LGRQUXHYJBFGTM-UHFFFAOYSA-N

Inchi：

1S/C3H4N2/c1-2-5-3-4-1/h1,3H,2H2

SMILES：

N1=CN=CC1

4H-Imidazole(288-30-2)物化性质

实验特性

PSA : 24.72

计算特性

精确分子量 : 68.03752
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 68.037448136g/mol
重原子数量 : 5
复杂度 : 73
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） : -0.5
拓扑分子极性表面积 : 24.7Å²

4H-Imidazole(288-30-2)相关文献

1. Extended charge accumulation in ruthenium–4H-imidazole-based black absorbers: a theoretical design concept
Stephan Kupfer Phys. Chem. Chem. Phys. 2016 18 13357
2. In situ spectroelectrochemical and theoretical study on the oxidation of a 4H-imidazole-ruthenium dye adsorbed on nanocrystalline TiO2 thin film electrodes
Ying Zhang,Stephan Kupfer,Linda Zedler,Julian Schindler,Thomas Bocklitz,Julien Guthmuller,Sven Rau,Benjamin Dietzek Phys. Chem. Chem. Phys. 2015 17 29637
3. Synthesis and properties of 4H-imidazoles
Michael Casey,Christopher J. Moody,Charles W. Rees J. Chem. Soc. Perkin Trans. 1 1987 1389
4. The Suzuki–Miyaura reaction as a tool for modification of phenoxyl-nitroxyl radicals of the 4H-imidazole N-oxide series
Yury A. Ten,Oleg G. Salnikov,Svetlana A. Amitina,Dmitri V. Stass,Tatyana V. Rybalova,Maxim S. Kazantsev,Artem S. Bogomyakov,Evgeny A. Mostovich,Dmitrii G. Mazhukin RSC Adv. 2018 8 26099
5. Coordination driven self-assembly of four new molecular boats using a flexible imidazole-containing donor linker
Sushobhan Ghosh,Rajesh Chakrabarty,Partha Sarathi Mukherjee Dalton Trans. 2008 1850
6. Neutral, heteroleptic copper(i)-4H-imidazolate complexes: synthesis and characterization of their structural, spectral and redox properties
M. Schulz,F. Dr?ge,F. Herrmann-Westendorf,J. Schindler,H. G?rls,M. Presselt Dalton Trans. 2016 45 4835
7. Neutral, heteroleptic copper(i)-4H-imidazolate complexes: synthesis and characterization of their structural, spectral and redox properties
M. Schulz,F. Dr?ge,F. Herrmann-Westendorf,J. Schindler,H. G?rls,M. Presselt Dalton Trans. 2016 45 4835
8. Synthesis and properties of 4H-imidazoles. Part 2.
Christopher J. Moody,Charles W. Rees,Richard G. Young J. Chem. Soc. Perkin Trans. 1 1991 335
9. Protonation effects on the resonance Raman properties of a novel (terpyridine)Ru(4H-imidazole) complex: an experimental and theoretical case study
Stephan Kupfer,Julien Guthmuller,Maria W?chtler,Sebastian Losse,Sven Rau,Benjamin Dietzek,Jürgen Popp,Leticia González Phys. Chem. Chem. Phys. 2011 13 15580
10. Cycloaddition of epoxides and CO2 catalyzed by bisimidazole-functionalized porphyrin cobalt(iii) complexes
Xu Jiang,Faliang Gou,Fengjuan Chen,Huanwang Jing Green Chem. 2016 18 3567