Cas no 40815-55-2 (3-Buten-2-one, 4-methoxy-4-(methylamino)- (9CI))
40815-55-2 structure
Product Name:3-Buten-2-one, 4-methoxy-4-(methylamino)- (9CI)
CAS No:40815-55-2
MF:C6H11NO2
MW:129.157041788101
CID:1020229
PubChem ID:71437600
Update Time:2025-04-20
3-Buten-2-one, 4-methoxy-4-(methylamino)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one, 4-methoxy-4-(methylamino)- (9CI)
- 40815-55-2
- DB-271535
- 3-BUTEN-2-ONE, 4-METHOXY-4-(METHYLAMINO)-
-
- Inchi： 1S/C6H11NO2/c1-5(8)4-6(7-2)9-3/h4,7H,1-3H3
- InChI Key： USRATXQPYFHQRP-UHFFFAOYSA-N
- SMILES： O(C)C(=CC(C)=O)NC
Computed Properties
- Exact Mass: 129.078978594g/mol
- Monoisotopic Mass: 129.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 129
- 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: 0.9
- Topological Polar Surface Area: 38.3?2
3-Buten-2-one, 4-methoxy-4-(methylamino)- (9CI) Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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