Cas no 79080-37-8 (1H-Imidazole-2-carbonitrile,1,5-dimethyl-)
79080-37-8 structure
Product Name:1H-Imidazole-2-carbonitrile,1,5-dimethyl-
CAS No:79080-37-8
MF:C6H7N3
MW:121.139880418777
CID:554212
PubChem ID:12747515
Update Time:2025-04-19
1H-Imidazole-2-carbonitrile,1,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-2-carbonitrile,1,5-dimethyl-
- 1H-Imidazole-2-carbonitrile,1,5-dimethyl-(9CI)
- 1,5-dimethyl-2-imidazolecarbonitrile
- 1H-IMIDAZOLE-2-CARBONITRILE 1,5-DIMETHYL
- DTXSID401273808
- 1,5-dimethyl-1H-imidazole-2-carbonitrile
- 79080-37-8
-
- Inchi： 1S/C6H7N3/c1-5-4-8-6(3-7)9(5)2/h4H,1-2H3
- InChI Key： HBTVJZJUISVKIC-UHFFFAOYSA-N
- SMILES： N1(C)C(C#N)=NC=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-2-carbonitrile,1,5-dimethyl- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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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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