Cas no 63397-90-0 (Octanedinitrile, 2,4-dimethyl-4-phenyl-)
63397-90-0 structure
Product Name:Octanedinitrile, 2,4-dimethyl-4-phenyl-
CAS No:63397-90-0
MF:C16H20N2
MW:240.343403816223
CID:390160
PubChem ID:21433063
Update Time:2025-04-19
Octanedinitrile, 2,4-dimethyl-4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Octanedinitrile, 2,4-dimethyl-4-phenyl-
- 2,4-dimethyl-4-phenyloctanedinitrile
- SCHEMBL11756306
- DTXSID60613776
- 63397-90-0
-
- Inchi： 1S/C16H20N2/c1-14(13-18)12-16(2,10-6-7-11-17)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10,12H2,1-2H3
- InChI Key： QFHKZHJIKJDYLQ-UHFFFAOYSA-N
- SMILES： N#CC(C)CC(C)(C1C=CC=CC=1)CCCC#N
Computed Properties
- Exact Mass: 240.162648646g/mol
- Monoisotopic Mass: 240.162648646g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 337
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 47.6?2
Octanedinitrile, 2,4-dimethyl-4-phenyl- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
63397-90-0 (Octanedinitrile, 2,4-dimethyl-4-phenyl-) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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