Cas no 173850-38-9 (5-Isoxazolemethanamine,N,N-dimethyl-)
173850-38-9 structure
Product Name:5-Isoxazolemethanamine,N,N-dimethyl-
CAS No:173850-38-9
MF:C6H10N2O
MW:126.156401157379
CID:111623
PubChem ID:10678239
Update Time:2025-04-18
5-Isoxazolemethanamine,N,N-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolemethanamine,N,N-dimethyl-
- 5-Isoxazolemethanamine,N,N-dimethyl-(9CI)
- SCHEMBL17481736
- 173850-38-9
- 1-(isoxazol-5-yl)-N,N-dimethylmethanamine
- N,N-dimethyl-1-(1,2-oxazol-5-yl)methanamine
-
- Inchi： 1S/C6H10N2O/c1-8(2)5-6-3-4-7-9-6/h3-4H,5H2,1-2H3
- InChI Key： ZSPBHJXBRRUIOK-UHFFFAOYSA-N
- SMILES： O1C(=CC=N1)CN(C)C
Computed Properties
- Exact Mass: 126.0794
- Monoisotopic Mass: 126.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 85.1
- 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: 0.2
- Topological Polar Surface Area: 29.3?2
Experimental Properties
- PSA: 29.27
5-Isoxazolemethanamine,N,N-dimethyl- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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