Cas no 79080-36-7 (1H-Imidazole-2-carbonitrile,1,4-dimethyl-)
79080-36-7 structure
Product Name:1H-Imidazole-2-carbonitrile,1,4-dimethyl-
CAS No:79080-36-7
MF:C6H7N3
MW:121.139880418777
CID:554211
PubChem ID:12747517
Update Time:2025-04-19
1H-Imidazole-2-carbonitrile,1,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-2-carbonitrile,1,4-dimethyl-
- 1,4-dimethylimidazole-2-carbonitrile
- 1H-Imidazole-2-carbonitrile,1,4-dimethyl-(9CI)
- 1,4-dimethyl-1H-imidazole-2-carbonitrile
- QC-7560
- SCHEMBL15507820
- DTXSID50508788
- 79080-36-7
-
- Inchi： 1S/C6H7N3/c1-5-4-9(2)6(3-7)8-5/h4H,1-2H3
- InChI Key： XZIQDRZDOJLKLE-UHFFFAOYSA-N
- SMILES： N1(C)C(C#N)=NC(C)=C1
Computed Properties
- Exact Mass: 121.06400
- 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
Experimental Properties
- PSA: 41.61000
- LogP: 0.60018
1H-Imidazole-2-carbonitrile,1,4-dimethyl- Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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