Cas no 193968-42-2 (2,4-Diazabicyclo[4.2.0]octa-1,3,5-triene,3,5-dimethyl-)
![2,4-Diazabicyclo[4.2.0]octa-1,3,5-triene,3,5-dimethyl- structure](https://ossimg.kuujia.com/scimg/194000/193968-42-2x500.png)
193968-42-2 structure
Product Name:2,4-Diazabicyclo[4.2.0]octa-1,3,5-triene,3,5-dimethyl-
CAS No:193968-42-2
MF:C8H10N2
MW:134.178401470184
CID:116494
Update Time:2024-01-24
2,4-Diazabicyclo[4.2.0]octa-1,3,5-triene,3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Diazabicyclo[4.2.0]octa-1,3,5-triene,3,5-dimethyl-
- 2,4-Diazabicyclo[4.2.0]octa-1,3,5-triene, 3,5-dimethyl- (9CI)
- 2,4-Diazabicyclo[4.2.0]octa-1,3,5-triene, 3,5-dimethyl-
-
- Inchi： 1S/C8H10N2/c1-5-7-3-4-8(7)10-6(2)9-5/h3-4H2,1-2H3
- InChI Key： ZHZPJHCTJXMCQJ-UHFFFAOYSA-N
- SMILES： C12C(CC1)=C(C)N=C(C)N=2
Computed Properties
- Exact Mass: 134.0845
- Monoisotopic Mass: 134.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 135
- 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
- Topological Polar Surface Area: 25.8A^2
Experimental Properties
- Density: 1.120±0.06 g/cm3(Predicted)
- Boiling Point: 225.4±9.0 °C(Predicted)
- PSA: 25.78
- pka: 3.44±0.20(Predicted)
2,4-Diazabicyclo[4.2.0]octa-1,3,5-triene,3,5-dimethyl- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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