Cas no 55393-94-7 (3-Buten-2-one, 4-hydroxy-4-(methylamino)- (9CI))
55393-94-7 structure
Product Name:3-Buten-2-one, 4-hydroxy-4-(methylamino)- (9CI)
CAS No:55393-94-7
MF:C5H9NO2
MW:115.130461454391
CID:1020226
PubChem ID:71434801
Update Time:2025-04-20
3-Buten-2-one, 4-hydroxy-4-(methylamino)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one, 4-hydroxy-4-(methylamino)- (9CI)
- 55393-94-7
- 120166-75-8
- DB-271534
- 3-Buten-2-one, 4-hydroxy-4-(methylamino)-
- DB-269910
- 2-Butenamide, 3-hydroxy-N-methyl-
-
- Inchi： 1S/C5H9NO2/c1-4(7)3-5(8)6-2/h3,7H,1-2H3,(H,6,8)
- InChI Key： CDASTHKGLSHGJZ-UHFFFAOYSA-N
- SMILES： OC(C)=CC(NC)=O
Computed Properties
- Exact Mass: 115.063328530g/mol
- Monoisotopic Mass: 115.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 118
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.4
- Topological Polar Surface Area: 49.3?2
3-Buten-2-one, 4-hydroxy-4-(methylamino)- (9CI) Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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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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