Cas no 179381-01-2 (Isoquinoline, 7-methoxy-4-phenyl-)
179381-01-2 structure
Product Name:Isoquinoline, 7-methoxy-4-phenyl-
CAS No:179381-01-2
MF:C16H13NO
MW:235.280524015427
CID:1369589
Update Time:2024-08-16
Isoquinoline, 7-methoxy-4-phenyl- Chemical and Physical Properties
Names and Identifiers
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- Isoquinoline, 7-methoxy-4-phenyl-
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- Inchi： 1S/C16H13NO/c1-18-14-7-8-15-13(9-14)10-17-11-16(15)12-5-3-2-4-6-12/h2-11H,1H3
- InChI Key： FRVZKMACIOBKEH-UHFFFAOYSA-N
- SMILES： C1C2=C(C=CC(OC)=C2)C(C2=CC=CC=C2)=CN=1
Computed Properties
- Exact Mass: 235.09979
Experimental Properties
- Density: 1.141±0.06 g/cm3(Predicted)
- Boiling Point: 393.4±27.0 °C(Predicted)
- PSA: 22.12
- pka: 5.12±0.10(Predicted)
Isoquinoline, 7-methoxy-4-phenyl- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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