Cas no 88738-46-9 (2-Butenedinitrile, 2-(1-methylethyl)-3-phenyl-)
88738-46-9 structure
Product Name:2-Butenedinitrile, 2-(1-methylethyl)-3-phenyl-
CAS No:88738-46-9
MF:C13H12N2
MW:196.247782707214
CID:622664
PubChem ID:56612003
Update Time:2025-04-19
2-Butenedinitrile, 2-(1-methylethyl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedinitrile, 2-(1-methylethyl)-3-phenyl-
- 2-phenyl-3-propan-2-ylbut-2-enedinitrile
- 88738-46-9
- DTXSID20718054
- 2-Phenyl-3-(propan-2-yl)but-2-enedinitrile
-
- Inchi： 1S/C13H12N2/c1-10(2)12(8-14)13(9-15)11-6-4-3-5-7-11/h3-7,10H,1-2H3
- InChI Key： UFEZOQXKLJQFJU-UHFFFAOYSA-N
- SMILES： N#CC(=C(C#N)C1C=CC=CC=1)C(C)C
Computed Properties
- Exact Mass: 196.100048391g/mol
- Monoisotopic Mass: 196.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 339
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.7
- Topological Polar Surface Area: 47.6?2
2-Butenedinitrile, 2-(1-methylethyl)-3-phenyl- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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