Cas no 92096-09-8 (3-(1-Hydroxyethyl)-5-dimethylaminomethylisoxazole)
92096-09-8 structure
Product Name:3-(1-Hydroxyethyl)-5-dimethylaminomethylisoxazole
CAS No:92096-09-8
MF:C8H14N2O2
MW:170.208961963654
CID:997897
Update Time:2023-08-03
3-(1-Hydroxyethyl)-5-dimethylaminomethylisoxazole Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolemethanol,5-[(dimethylamino)methyl]--alpha--methyl-(9CI)
- 3-(1-hydroxyethyl)-5-dimethylaminomethylisoxazole
- 3-(1-Hydroxyethyl)-5-dimethylaminomethylisoxazole
-
- Inchi： 1S/C8H14N2O2/c1-6(11)8-4-7(12-9-8)5-10(2)3/h4,6,11H,5H2,1-3H3
- InChI Key： QQBRMIMLWUCRCK-UHFFFAOYSA-N
- SMILES： O1C(=CC(C(C)O)=N1)CN(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 141
- Topological Polar Surface Area: 49.5
3-(1-Hydroxyethyl)-5-dimethylaminomethylisoxazole Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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