Cas no 92096-08-7 (Ethanone, 1-[5-[(dimethylamino)methyl]-3-isoxazolyl]- (9CI))
![Ethanone, 1-[5-[(dimethylamino)methyl]-3-isoxazolyl]- (9CI) structure](https://ossimg.kuujia.com/scimg/92500/92096-08-7x500.png)
92096-08-7 structure
Product Name:Ethanone, 1-[5-[(dimethylamino)methyl]-3-isoxazolyl]- (9CI)
CAS No:92096-08-7
MF:C8H12N2O2
MW:168.193081855774
CID:997896
PubChem ID:45099343
Update Time:2025-04-20
Ethanone, 1-[5-[(dimethylamino)methyl]-3-isoxazolyl]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-[5-[(dimethylamino)methyl]-3-isoxazolyl]- (9CI)
- Ethanone,1-[5-[(dimethylamino)methyl]-3-isoxazolyl]-(9ci)
- 92096-08-7
- 1-(5-((Dimethylamino)methyl)isoxazol-3-yl)ethanone
- DB-276288
- Ethanone, 1-[5-[(dimethylamino)methyl]-3-isoxazolyl]-
-
- Inchi： 1S/C8H12N2O2/c1-6(11)8-4-7(12-9-8)5-10(2)3/h4H,5H2,1-3H3
- InChI Key： ONUQBZLGUUKKGV-UHFFFAOYSA-N
- SMILES： O1C(=CC(C(C)=O)=N1)CN(C)C
Computed Properties
- Exact Mass: 168.089877630g/mol
- Monoisotopic Mass: 168.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 170
- 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: 0.3
- Topological Polar Surface Area: 46.3?2
Ethanone, 1-[5-[(dimethylamino)methyl]-3-isoxazolyl]- (9CI) Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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