Cas no 155372-96-6 (2-Amino-1-methyl-1H-imidazole-4-carbonitrile)
155372-96-6 structure
Product Name:2-Amino-1-methyl-1H-imidazole-4-carbonitrile
CAS No:155372-96-6
MF:C5H6N4
MW:122.12793970108
CID:106963
Update Time:2023-08-02
2-Amino-1-methyl-1H-imidazole-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-4-carbonitrile,2-amino-1-methyl-
- 1H-Imidazole-4-carbonitrile,2-amino-1-methyl-(9CI)
- 2-amino-1-methyl-1H-imidazole-4-carbonitrile
- 2-Amino-1-methyl-1H-imidazole-4-carbonitrile
-
- Inchi： 1S/C5H6N4/c1-9-3-4(2-6)8-5(9)7/h3H,1H3,(H2,7,8)
- InChI Key： YJFVJRSOTFLBCF-UHFFFAOYSA-N
- SMILES： N1(C)C=C(C#N)N=C1N
Computed Properties
- Exact Mass: 122.059
- Monoisotopic Mass: 122.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 146
- 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
- Topological Polar Surface Area: 67.6
2-Amino-1-methyl-1H-imidazole-4-carbonitrile Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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