Cas no 84406-90-6 (acetic acid;5-methyl-1H-imidazol-2-amine)
84406-90-6 structure
Product Name:acetic acid;5-methyl-1H-imidazol-2-amine
CAS No:84406-90-6
MF:C6H11N3O2
MW:157.170440912247
CID:2805196
PubChem ID:21279803
Update Time:2025-04-21
acetic acid;5-methyl-1H-imidazol-2-amine Chemical and Physical Properties
Names and Identifiers
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- SCHEMBL4396427
- DTXSID70611925
- Acetic acid--5-methyl-1H-imidazol-2-amine (1/1)
- 5-Methyl-1H-imidazol-2-amine acetate
- 84406-90-6
- acetic acid;5-methyl-1H-imidazol-2-amine
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- Inchi： 1S/C4H7N3.C2H4O2/c1-3-2-6-4(5)7-3;1-2(3)4/h2H,1H3,(H3,5,6,7);1H3,(H,3,4)
- InChI Key： VAZDDHZBHUBMFX-UHFFFAOYSA-N
- SMILES： OC(C)=O.N1C(N)=NC=C1C
Computed Properties
- Exact Mass: 157.085126602Da
- Monoisotopic Mass: 157.085126602Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 95
- 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: 92?2
acetic acid;5-methyl-1H-imidazol-2-amine Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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