Cas no 134653-70-6 (Butanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, ethyl ester, (2Z)-)
![Butanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, ethyl ester, (2Z)- structure](https://ossimg.kuujia.com/scimg/135000/134653-70-6x500.png)
134653-70-6 structure
Product Name:Butanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, ethyl ester, (2Z)-
CAS No:134653-70-6
MF:C9H15NO3
MW:185.220302820206
CID:1236203
PubChem ID:2777118
Update Time:2025-04-20
Butanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, ethyl ester, (2Z)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, ethyl ester, (2Z)-
- ethyl (2Z)-2-[(dimethylamino)methylene]-3-oxobutanoate
- 2-Dimethylaminomethylen-acetessigsaeureethylester
- 134653-70-6
- (Z)-ethyl 2-((dimethylamino)methylene)-3-oxobutanoate
- ETHYL (2Z)-2-ACETYL-3-(DIMETHYLAMINO)ACRYLATE
- SCHEMBL120745
- ethyl (2Z)-2-[(dimethylamino)methylidene]-3-oxobutanoate
- AKOS023553013
- AS-9577
- DB-300178
-
- Inchi： 1S/C9H15NO3/c1-5-13-9(12)8(7(2)11)6-10(3)4/h6H,5H2,1-4H3/b8-6-
- InChI Key： LQSOVGAUOHMPLK-VURMDHGXSA-N
- SMILES： O(CC)C(/C(/C(C)=O)=C\N(C)C)=O
Computed Properties
- Exact Mass: 185.10525
- Monoisotopic Mass: 185.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 46.6?2
Experimental Properties
- PSA: 46.61
Butanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, ethyl ester, (2Z)- Related Literature
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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