Cas no 71254-88-1 (1H-Imidazole, 1-acetyl-4,5-dihydro-4,4-dimethyl-)
71254-88-1 structure
Product Name:1H-Imidazole, 1-acetyl-4,5-dihydro-4,4-dimethyl-
CAS No:71254-88-1
MF:C7H12N2O
MW:140.182981491089
CID:545820
PubChem ID:71404688
Update Time:2025-04-19
1H-Imidazole, 1-acetyl-4,5-dihydro-4,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole, 1-acetyl-4,5-dihydro-4,4-dimethyl-
- 1-(5,5-dimethyl-4H-imidazol-3-yl)ethanone
- 71254-88-1
- 1-(4,4-Dimethyl-4,5-dihydro-1H-imidazol-1-yl)ethan-1-one
- DTXSID00825518
-
- Inchi: 1S/C7H12N2O/c1-6(10)9-4-7(2,3)8-5-9/h5H,4H2,1-3H3
- InChI Key: ZLXJXURQXAFUHU-UHFFFAOYSA-N
- SMILES: O=C(C)N1C=NC(C)(C)C1
Computed Properties
- Exact Mass: 140.09506
- Monoisotopic Mass: 140.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 184
- 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: -0.2
- Topological Polar Surface Area: 32.7?2
Experimental Properties
- PSA: 32.67
1H-Imidazole, 1-acetyl-4,5-dihydro-4,4-dimethyl- Related Literature
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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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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