Cas no 14766-63-3 (1H-Imidazole-2-ethanol,1-methyl-5-nitro-)
14766-63-3 structure
Product Name:1H-Imidazole-2-ethanol,1-methyl-5-nitro-
CAS No:14766-63-3
MF:C6H9N3O3
MW:171.153960943222
CID:186560
PubChem ID:167163
Update Time:2025-04-19
1H-Imidazole-2-ethanol,1-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-2-ethanol,1-methyl-5-nitro-
- 1-methyl-5-nitro-1H-Imidazole-2-ethanol
- 2-(1-methyl-5-nitroimidazol-2-yl)ethanol
- 2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethanol
- DTXSID10933178
- Ipronidazole metabolite B 100 microg/mL in Acetonitrile
- Imidazole-2-ethanol, 1-methyl-5-nitro-
- SCHEMBL16324840
- 14766-63-3
- 1H-Imidazole-2-ethanol, 1-methyl-5-nitro-; Imidazole-2-ethanol, 1-methyl-5-nitro- (8CI); 1-Methyl-5-nitro-1H-imidazole-2-ethanol
- Ipronidazole metabolite B
- CHEMBL39019
- FT-0767594
- 1-Methyl-5-nitroimidazole-2-ethanol
- WTZSZHBIEVMQTN-UHFFFAOYSA-N
- 2-(1-Methyl-5-nitro-1H-imidazol-2-yl)ethan-1-ol
-
- Inchi： 1S/C6H9N3O3/c1-8-5(2-3-10)7-4-6(8)9(11)12/h4,10H,2-3H2,1H3
- InChI Key： WTZSZHBIEVMQTN-UHFFFAOYSA-N
- SMILES： OCCC1=NC=C([N+](=O)[O-])N1C
Computed Properties
- Exact Mass: 171.06447
- Monoisotopic Mass: 171.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 170
- 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: _0.6
- Topological Polar Surface Area: 83.9?2
Experimental Properties
- Density: 1.45
- Boiling Point: 405.4°C at 760 mmHg
- Flash Point: 199°C
- Refractive Index: 1.612
- PSA: 81.19
1H-Imidazole-2-ethanol,1-methyl-5-nitro- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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