Cas no 146562-83-6 (1,4-Diazabicyclo[2.2.2]octan-2-one(9CI))
![1,4-Diazabicyclo[2.2.2]octan-2-one(9CI) structure](https://ossimg.kuujia.com/scimg/147000/146562-83-6x500.png)
146562-83-6 structure
Product Name:1,4-Diazabicyclo[2.2.2]octan-2-one(9CI)
CAS No:146562-83-6
MF:C6H10N2O
MW:126.156401157379
CID:101120
PubChem ID:22714968
Update Time:2025-04-18
1,4-Diazabicyclo[2.2.2]octan-2-one(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Diazabicyclo[2.2.2]octan-2-one(9CI)
- 1,4-Diazabicyclo[2.2.2]octan-2-one
- 1,4-diazabicyclo[2.2.2]octan-3-one
- 4-aza-2-quinuclidone
- SCHEMBL6826275
- FT-0731875
- 146562-83-6
- DTXSID20627718
-
- Inchi： 1S/C6H10N2O/c9-6-5-7-1-3-8(6)4-2-7/h1-5H2
- InChI Key： IRJSHJDADOVHTN-UHFFFAOYSA-N
- SMILES： O=C1CN2CCN1CC2
Computed Properties
- Exact Mass: 126.0794
- Monoisotopic Mass: 126.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 138
- 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: -0.7
- Topological Polar Surface Area: 23.6?2
Experimental Properties
- PSA: 23.55
1,4-Diazabicyclo[2.2.2]octan-2-one(9CI) Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
146562-83-6 (1,4-Diazabicyclo[2.2.2]octan-2-one(9CI)) Related Products
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