Cas no 104614-58-6 (1,3-Benzenedicarbonitrile, 4-ethyl-)
104614-58-6 structure
Product Name:1,3-Benzenedicarbonitrile, 4-ethyl-
CAS No:104614-58-6
MF:C10H8N2
MW:156.183921813965
CID:1144215
PubChem ID:13738678
Update Time:2025-04-20
1,3-Benzenedicarbonitrile, 4-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarbonitrile, 4-ethyl-
- 4-ethylbenzene-1,3-dicarbonitrile
- 104614-58-6
- DTXSID10548069
- SCHEMBL10824278
-
- Inchi： 1S/C10H8N2/c1-2-9-4-3-8(6-11)5-10(9)7-12/h3-5H,2H2,1H3
- InChI Key： MBJWGHPMLSGNGR-UHFFFAOYSA-N
- SMILES： N#CC1C=C(C#N)C=CC=1CC
Computed Properties
- Exact Mass: 156.06884
- Monoisotopic Mass: 156.068748264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 239
- 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: 2.2
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.58
1,3-Benzenedicarbonitrile, 4-ethyl- Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
104614-58-6 (1,3-Benzenedicarbonitrile, 4-ethyl-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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