Cas no 194415-74-2 (2,2,5,5-Tetramethyl-3-phenylhexanedinitrile)
194415-74-2 structure
Product Name:2,2,5,5-Tetramethyl-3-phenylhexanedinitrile
CAS No:194415-74-2
MF:C16H20N2
MW:240.343403816223
CID:2788489
Update Time:2023-08-07
2,2,5,5-Tetramethyl-3-phenylhexanedinitrile Chemical and Physical Properties
Names and Identifiers
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- 2,2,5,5-Tetramethyl-3-phenylhexanedinitrile
-
- Inchi： 1S/C16H20N2/c1-15(2,11-17)10-14(16(3,4)12-18)13-8-6-5-7-9-13/h5-9,14H,10H2,1-4H3
- InChI Key： KVQMILOAKTXJCA-UHFFFAOYSA-N
- SMILES： N#CC(C)(C)C(C1C=CC=CC=1)CC(C#N)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 368
- XLogP3: 3.6
- Topological Polar Surface Area: 47.6
2,2,5,5-Tetramethyl-3-phenylhexanedinitrile Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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