Cas no 130749-76-7 (Acetamide,N-(1-acetyl-4,5-dihydro-4-oxo-1H-imidazol-2-yl)-)
130749-76-7 structure
Product Name:Acetamide,N-(1-acetyl-4,5-dihydro-4-oxo-1H-imidazol-2-yl)-
CAS No:130749-76-7
MF:C7H9N3O3
MW:183.164661169052
CID:102489
PubChem ID:14666656
Update Time:2025-04-18
Acetamide,N-(1-acetyl-4,5-dihydro-4-oxo-1H-imidazol-2-yl)- Chemical and Physical Properties
Names and Identifiers
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- Acetamide,N-(1-acetyl-4,5-dihydro-4-oxo-1H-imidazol-2-yl)-
- Acetamide, N-(1-acetyl-4,5-dihydro-4-oxo-1H-imidazol-2-yl)-
- 130749-76-7
- N-(3-acetyl-5-oxo-4H-imidazol-2-yl)acetamide
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- Inchi： 1S/C7H9N3O3/c1-4(11)8-7-9-6(13)3-10(7)5(2)12/h3H2,1-2H3,(H,8,9,11,13)
- InChI Key： ZEJIBYLBEXEYJA-UHFFFAOYSA-N
- SMILES： O=C1CN(C(C)=O)C(NC(C)=O)=N1
Computed Properties
- Exact Mass: 183.06447
- Monoisotopic Mass: 183.06439116g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 308
- 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: -0.7
- Topological Polar Surface Area: 78.8?2
Experimental Properties
- PSA: 78.84
Acetamide,N-(1-acetyl-4,5-dihydro-4-oxo-1H-imidazol-2-yl)- Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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