Cas no 112108-87-9 (2-ethyl-1H-imidazole-5-carbonitrile)
112108-87-9 structure
Product Name:2-ethyl-1H-imidazole-5-carbonitrile
CAS No:112108-87-9
MF:C6H7N3
MW:121.139880418777
CID:2608048
PubChem ID:71336097
Update Time:2025-04-21
2-ethyl-1H-imidazole-5-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-ethyl-1H-imidazole-5-carbonitrile
- SCHEMBL14404920
- DTXSID40763960
- SCHEMBL16995203
- 112108-87-9
-
- Inchi： 1S/C6H7N3/c1-2-6-8-4-5(3-7)9-6/h4H,2H2,1H3,(H,8,9)
- InChI Key： SQPCINATQLRGCO-UHFFFAOYSA-N
- SMILES： N1C(C#N)=CN=C1CC
Computed Properties
- Exact Mass: 121.063997236Da
- Monoisotopic Mass: 121.063997236Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 134
- 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: 0.9
- Topological Polar Surface Area: 52.5?2
2-ethyl-1H-imidazole-5-carbonitrile Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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