Cas no 88122-94-5 (Isoquinoline, 4-methyl-1-phenyl-)
88122-94-5 structure
Product Name:Isoquinoline, 4-methyl-1-phenyl-
CAS No:88122-94-5
MF:C16H13N
MW:219.281123876572
CID:644301
PubChem ID:12843495
Update Time:2025-04-19
Isoquinoline, 4-methyl-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 4-methyl-1-phenyl-
- 4-methyl-1-phenylisoquinoline
- DTXSID20511289
- 88122-94-5
- SCHEMBL2481047
- FXKYLAPEKMFPOD-UHFFFAOYSA-N
- 1-phenyl-4-methylisoquinoline
-
- Inchi： 1S/C16H13N/c1-12-11-17-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-11H,1H3
- InChI Key： FXKYLAPEKMFPOD-UHFFFAOYSA-N
- SMILES： N1C=C(C)C2C=CC=CC=2C=1C1C=CC=CC=1
Computed Properties
- Exact Mass: 219.104799419g/mol
- Monoisotopic Mass: 219.104799419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 244
- 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: 4.1
- Topological Polar Surface Area: 12.9?2
Isoquinoline, 4-methyl-1-phenyl- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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