Cas no 4968-85-8 ((3,5-Dimethylisoxazol-4-yl)(piperidino)methanone)
4968-85-8 structure
Product Name:(3,5-Dimethylisoxazol-4-yl)(piperidino)methanone
CAS No:4968-85-8
MF:C11H16N2O2
MW:208.256942749023
CID:932658
Update Time:2023-08-02
(3,5-Dimethylisoxazol-4-yl)(piperidino)methanone Chemical and Physical Properties
Names and Identifiers
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- (3,5-dimethylisoxazol-4-yl)(piperidino)methanone
- (3,5-dimethylisoxazol-4-yl)(piperidin-1-yl)methanone
- (3,5-Dimethylisoxazol-4-yl)(piperidino)methanone
-
- Inchi： 1S/C11H16N2O2/c1-8-10(9(2)15-12-8)11(14)13-6-4-3-5-7-13/h3-7H2,1-2H3
- InChI Key： ZCKWZEVNPRLZAI-UHFFFAOYSA-N
- SMILES： O=C(C1C(C)=NOC=1C)N1CCCCC1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 239
- XLogP3: 1.5
- Topological Polar Surface Area: 46.3
Experimental Properties
- Boiling Point: 173 °C
(3,5-Dimethylisoxazol-4-yl)(piperidino)methanone 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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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