Cas no 54953-79-6 (5,5-dimethyl-1,3-oxazinan-2-one)
54953-79-6 structure
Product Name:5,5-dimethyl-1,3-oxazinan-2-one
CAS No:54953-79-6
MF:C6H11NO2
MW:129.157041788101
CID:1594401
PubChem ID:12202793
Update Time:2025-04-21
5,5-dimethyl-1,3-oxazinan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 5,5-dimethyl-1,3-oxazinan-2-one
- 2H-1,3-oxazin-2-one, tetrahydro-5,5-dimethyl-
- LogP
- 5,5-DIMETHYL-[1,3]OXAZINAN-2-ONE
- AKOS006288619
- 54953-79-6
- SCHEMBL17926181
- DTXSID40480281
-
- Inchi： 1S/C6H11NO2/c1-6(2)3-7-5(8)9-4-6/h3-4H2,1-2H3,(H,7,8)
- InChI Key： PXCUHVYMIAPQGI-UHFFFAOYSA-N
- SMILES： O1C(NCC(C)(C)C1)=O
Computed Properties
- Exact Mass: 129.07903
- Monoisotopic Mass: 129.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 131
- 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: 0.9
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- Density: 1.005
- Boiling Point: 283.2°C at 760 mmHg
- Flash Point: 125.1°C
- Refractive Index: 1.425
- PSA: 38.33
5,5-dimethyl-1,3-oxazinan-2-one Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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