Cas no 3276-41-3 (2H-1,2-Oxazine,3,6-dihydro-2-nitroso-)
3276-41-3 structure
Product Name:2H-1,2-Oxazine,3,6-dihydro-2-nitroso-
2H-1,2-Oxazine,3,6-dihydro-2-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,2-Oxazine,3,6-dihydro-2-nitroso-
- 2-nitroso-3,6-dihydrooxazine
- 2H-1,2-Oxazine, 3,6-dihydro-2-nitroso-
- 3,6-Dihydro-2-nitroso-1,2-oxazine
- 3276-41-3
- N-Nitroso-3,6-dihydrooxazin-1,2
- DTXSID7020473
- GM4KT4UK89
- N-Nitroso-3,6-dihydrooxazin-1,2 [German]
- 4-27-00-00919 (Beilstein Handbook Reference)
- CHEMBL166180
- DIHYDRO-2-NITROSO-2H-1,2-OXAZINE, 3,6-
- 3,6-Dihydro-2-nitroso-2H-1,2-oxazine
- BRN 0110759
- N-Nitroso-3.6-dihydro-1.2-oxazin
- N-Nitroso-3,6-dihydro-1,2-oxazine
- Q63088187
- N-Nitroso-3,6-dihydro-1,2-oxazin
- 2-nitroso-3,6-dihydro-2H-1,2-oxazine
- UNII-GM4KT4UK89
-
- Inchi： 1S/C4H6N2O2/c7-5-6-3-1-2-4-8-6/h1-2H,3-4H2
- InChI Key： JRIFTVNYAPUKTK-UHFFFAOYSA-N
- SMILES： O1CC=CCN1N=O
Computed Properties
- Exact Mass: 114.04298
- Monoisotopic Mass: 114.042927438g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 113
- 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: 0.5
- Topological Polar Surface Area: 41.9?2
Experimental Properties
- Density: 1.3565 (rough estimate)
- Boiling Point: 213.59°C (rough estimate)
- Refractive Index: 1.4487 (estimate)
- PSA: 41.9
2H-1,2-Oxazine,3,6-dihydro-2-nitroso- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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