Cas no 801993-67-9 (1H-Imidazole-1-hexanol,2-methyl-5-nitro-)
801993-67-9 structure
Product Name:1H-Imidazole-1-hexanol,2-methyl-5-nitro-
CAS No:801993-67-9
MF:C10H17N3O3
MW:227.260282278061
CID:713075
PubChem ID:45097981
Update Time:2025-04-19
1H-Imidazole-1-hexanol,2-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
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- 1H-Imidazole-1-hexanol,2-methyl-5-nitro-
- Imidazole-1-hexanol,2-methyl-5-nitro- (8CI)
- 801993-67-9
- 6-(2-Methyl-5-nitro-1H-imidazol-1-yl)hexan-1-ol
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- Inchi： 1S/C10H17N3O3/c1-9-11-8-10(13(15)16)12(9)6-4-2-3-5-7-14/h8,14H,2-7H2,1H3
- InChI Key： JWVXFSSCLKEMRP-UHFFFAOYSA-N
- SMILES： OCCCCCCN1C(=CN=C1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 227.127
- Monoisotopic Mass: 227.127
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 220
- 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
- Topological Polar Surface Area: 83.9A^2
1H-Imidazole-1-hexanol,2-methyl-5-nitro- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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