Cas no 33449-08-0 (1-Isoquinolinecarbonitrile, 4-phenyl-)
33449-08-0 structure
Product Name:1-Isoquinolinecarbonitrile, 4-phenyl-
CAS No:33449-08-0
MF:C16H10N2
MW:230.264003276825
CID:1465044
Update Time:2024-08-25
1-Isoquinolinecarbonitrile, 4-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 1-Isoquinolinecarbonitrile, 4-phenyl-
-
- Inchi： 1S/C16H10N2/c17-10-16-14-9-5-4-8-13(14)15(11-18-16)12-6-2-1-3-7-12/h1-9,11H
- InChI Key： RYIMWUAXKGRYDB-UHFFFAOYSA-N
- SMILES： C1(C#N)C2=C(C=CC=C2)C(C2=CC=CC=C2)=CN=1
Computed Properties
- Exact Mass: 230.0845
Experimental Properties
- Density: 1.23±0.1 g/cm3(Predicted)
- Melting Point: 135-136 °C(Solv: methanol (67-56-1))
- Boiling Point: 429.0±33.0 °C(Predicted)
- PSA: 36.68
- pka: -0.88±0.31(Predicted)
1-Isoquinolinecarbonitrile, 4-phenyl- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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