Cas no 56866-60-5 (1H-Imidazole-4-pentanenitrile)
1H-Imidazole-4-pentanenitrile structure
Product Name:1H-Imidazole-4-pentanenitrile
CAS No:56866-60-5
MF:C8H11N3
MW:149.193041086197
CID:347612
PubChem ID:55285837
Update Time:2025-04-19
1H-Imidazole-4-pentanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-4-pentanenitrile
- 5-(1H-imidazol-5-yl)pentanenitrile
- 56866-60-5
- DTXSID70717456
- AKOS006352866
-
- Inchi: 1S/C8H11N3/c9-5-3-1-2-4-8-6-10-7-11-8/h6-7H,1-4H2,(H,10,11)
- InChI Key: CBPXDNFRFIBHQW-UHFFFAOYSA-N
- SMILES: N1C=NC=C1CCCCC#N
Computed Properties
- Exact Mass: 149.09543
- Monoisotopic Mass: 149.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 147
- 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: 0.8
- Topological Polar Surface Area: 52.5?2
Experimental Properties
- PSA: 52.47
1H-Imidazole-4-pentanenitrile Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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