Cas no 122018-86-4 (5-Isoxazolepropanamine)
5-Isoxazolepropanamine structure
Product Name:5-Isoxazolepropanamine
CAS No:122018-86-4
MF:C6H10N2O
MW:126.156401157379
CID:150757
PubChem ID:129565
Update Time:2025-04-19
5-Isoxazolepropanamine Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolepropanamine
- 3-(1,2-oxazol-5-yl)propan-1-amine
- 5-(3-aminopropyl)isoxazole
- 5-Apix
- 3-(Isoxazol-5-yl)propan-1-amine
- DTXSID90153473
- 122018-86-4
-
- Inchi： 1S/C6H10N2O/c7-4-1-2-6-3-5-8-9-6/h3,5H,1-2,4,7H2
- InChI Key： LDEFHFXOOAGLDY-UHFFFAOYSA-N
- SMILES： O1C(=CC=N1)CCCN
Computed Properties
- Exact Mass: 126.0794
- Monoisotopic Mass: 126.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 77.5
- 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: 0.1
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 52.05
5-Isoxazolepropanamine Related Literature
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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