Cas no 39893-64-6 (α,2-dimethyl-4-nitro-1H-Imidazole-1-ethanol)
39893-64-6 structure
Product Name:α,2-dimethyl-4-nitro-1H-Imidazole-1-ethanol
CAS No:39893-64-6
MF:C7H11N3O3
MW:185.180541276932
CID:318803
PubChem ID:11970493
Update Time:2025-04-19
α,2-dimethyl-4-nitro-1H-Imidazole-1-ethanol Chemical and Physical Properties
Names and Identifiers
-
- α,2-dimethyl-4-nitro-1H-Imidazole-1-ethanol
- 1-(2-methyl-4-nitroimidazol-1-yl)propan-2-ol
- 1-(2-methyl-4-nitro-1H-imidazol-1-yl)propan-2-ol
- alpha,2-Dimethyl-4-nitro-1H-imidazole-1-ethanol
- NS00057797
- DTXSID20960435
- 39893-64-6
- EINECS 254-680-0
-
- Inchi: 1S/C7H11N3O3/c1-5(11)3-9-4-7(10(12)13)8-6(9)2/h4-5,11H,3H2,1-2H3
- InChI Key: JRXLILGOSVVPCW-UHFFFAOYSA-N
- SMILES: OC(C)CN1C=C([N+](=O)[O-])N=C1C
Computed Properties
- Exact Mass: 185.08004122g/mol
- Monoisotopic Mass: 185.08004122g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 194
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 83.9?2
α,2-dimethyl-4-nitro-1H-Imidazole-1-ethanol Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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