Cas no 182323-12-2 (N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)acetamide hydrate (1:1))
182323-12-2 structure
Product Name:N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)acetamide hydrate (1:1)
CAS No:182323-12-2
MF:C7H12N4O5
MW:232.193981170654
CID:1374402
PubChem ID:177367
Update Time:2025-04-20
N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)acetamide hydrate (1:1) Chemical and Physical Properties
Names and Identifiers
-
- N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)acetamide hydrate (1:1)
- 1H-Imidazole-1-acetamide, N-(2-hydroxyethyl)-2-nitro-, monohydrate
- N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide,hydrate
- SCHEMBL9473771
- 0N3DVR1IMU
- Etanidazole monohydrate
- DTXSID00171284
- Q27236980
- 182323-12-2
- UNII-0N3DVR1IMU
- N-(2-Hydroxyethyl)-2-nitroimidazole-1-acetamide monohydrate
-
- Inchi： 1S/C7H10N4O4.H2O/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15;/h1,3,12H,2,4-5H2,(H,8,13);1H2
- InChI Key： VLPRXIRKJZLPHS-UHFFFAOYSA-N
- SMILES： O=C(CN1C=CN=C1[N+](=O)[O-])NCCO.O
Computed Properties
- Exact Mass: 232.08086
- Monoisotopic Mass: 232.081
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 242
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 114?2
Experimental Properties
- Boiling Point: 681°C at 760 mmHg
- Flash Point: 365.7°C
- PSA: 141.79
N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)acetamide hydrate (1:1) Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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