Cas no 79080-35-6 (1H-Imidazole-4-carbonitrile,1,5-dimethyl-)
79080-35-6 structure
Product Name:1H-Imidazole-4-carbonitrile,1,5-dimethyl-
CAS No:79080-35-6
MF:C6H7N3
MW:121.139880418777
CID:554210
PubChem ID:12747518
Update Time:2025-04-19
1H-Imidazole-4-carbonitrile,1,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-4-carbonitrile,1,5-dimethyl-
- 1H-Imidazole-4-carbonitrile,1,5-dimethyl-(9CI)
- SCHEMBL12926031
- 1,5-dimethyl-1H-imidazole-4-carbonitrile
- 79080-35-6
-
- Inchi： 1S/C6H7N3/c1-5-6(3-7)8-4-9(5)2/h4H,1-2H3
- InChI Key： OXWHKPWTOATYRI-UHFFFAOYSA-N
- SMILES： N1(C)C=NC(C#N)=C1C
Computed Properties
- Exact Mass: 121.063997236g/mol
- Monoisotopic Mass: 121.063997236g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- 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
- XLogP3: 0.5
- Topological Polar Surface Area: 41.6?2
1H-Imidazole-4-carbonitrile,1,5-dimethyl- Related Literature
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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