Cas no 578006-80-1 (2,8-Diazabicyclo[4.2.0]octa-1,3,5-triene(9CI))
![2,8-Diazabicyclo[4.2.0]octa-1,3,5-triene(9CI) structure](https://ossimg.kuujia.com/scimg/578500/578006-80-1x500.png)
578006-80-1 structure
Product Name:2,8-Diazabicyclo[4.2.0]octa-1,3,5-triene(9CI)
CAS No:578006-80-1
MF:C6H6N2
MW:106.125240802765
CID:1018517
PubChem ID:17809845
Update Time:2025-04-20
2,8-Diazabicyclo[4.2.0]octa-1,3,5-triene(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,8-Diazabicyclo[4.2.0]octa-1,3,5-triene(9CI)
- 5,7-diazabicyclo[4.2.0]octa-1(6),2,4-triene
- 2,8-DIAZABICYCLO[4.2.0]OCTA-1,3,5-TRIENE
- SCHEMBL2400223
- 578006-80-1
- DTXSID60591080
-
- Inchi： 1S/C6H6N2/c1-2-5-4-8-6(5)7-3-1/h1-3H,4H2,(H,7,8)
- InChI Key： IUINJUKUKQCSJU-UHFFFAOYSA-N
- SMILES： N1C2C(=CC=CN=2)C1
Computed Properties
- Exact Mass: 106.053098200g/mol
- Monoisotopic Mass: 106.053098200g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 92.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.2
- Topological Polar Surface Area: 24.9?2
2,8-Diazabicyclo[4.2.0]octa-1,3,5-triene(9CI) Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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