Cas no 59997-48-7 (3-Buten-2-one, 4-ethoxy-4-(methylamino)-)
59997-48-7 structure
Product Name:3-Buten-2-one, 4-ethoxy-4-(methylamino)-
CAS No:59997-48-7
MF:C7H13NO2
MW:143.183622121811
CID:336585
PubChem ID:71442561
Update Time:2025-04-19
3-Buten-2-one, 4-ethoxy-4-(methylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one, 4-ethoxy-4-(methylamino)-
- 4-ethoxy-4-(methylamino)but-3-en-2-one
- 59997-48-7
- DTXSID70851445
-
- Inchi： 1S/C7H13NO2/c1-4-10-7(8-3)5-6(2)9/h5,8H,4H2,1-3H3
- InChI Key： BWNRHPPFJWWUNK-UHFFFAOYSA-N
- SMILES： O(CC)C(=CC(C)=O)NC
Computed Properties
- Exact Mass: 143.09469
- Monoisotopic Mass: 143.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 141
- 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: 1.3
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
3-Buten-2-one, 4-ethoxy-4-(methylamino)- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
59997-48-7 (3-Buten-2-one, 4-ethoxy-4-(methylamino)-) Related Products
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