Cas no 281194-81-8 (1H-Imidazole-2-carbonitrile,1,4,5-trimethyl-)
281194-81-8 structure
Product Name:1H-Imidazole-2-carbonitrile,1,4,5-trimethyl-
CAS No:281194-81-8
MF:C7H9N3
MW:135.166460752487
CID:248312
PubChem ID:15880325
Update Time:2025-04-19
1H-Imidazole-2-carbonitrile,1,4,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-2-carbonitrile,1,4,5-trimethyl-
- 1H-Imidazole-2-carbonitrile,1,4,5-trimethyl-(9CI)
- 281194-81-8
- 1,4,5-Trimethyl-1H-imidazole-2-carbonitrile
-
- Inchi： 1S/C7H9N3/c1-5-6(2)10(3)7(4-8)9-5/h1-3H3
- InChI Key： FPKJCRNPYIHYOJ-UHFFFAOYSA-N
- SMILES： N1(C)C(C#N)=NC(C)=C1C
Computed Properties
- Exact Mass: 135.08
- Monoisotopic Mass: 135.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 169
- 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: 41.6A^2
- XLogP3: 0.9
1H-Imidazole-2-carbonitrile,1,4,5-trimethyl- Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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