Cas no 6907-59-1 (Isoquinoline,1-(phenylmethyl)-)
6907-59-1 structure
Product Name:Isoquinoline,1-(phenylmethyl)-
Isoquinoline,1-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline,1-(phenylmethyl)-
- 1-BENZYLISOQUINOLINE
- A836348
- Q1770428
- 1-benzyl-isoquinoline
- Benzylisoquinoline
- Isoquinoline, 1-(phenylmethyl)-
- 1-(PHENYLMETHYL)ISOQUINOLINE
- 6907-59-1
- Isoquinoline, 1-benzyl-
- UNII-UF5CSU3HA6
- SCHEMBL232662
- AKOS015919234
- UF5CSU3HA6
- DTXSID90219124
- IZTUINVRJSCOIR-UHFFFAOYSA-N
- FT-0653972
-
- Inchi： 1S/C16H13N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-11H,12H2
- InChI Key： IZTUINVRJSCOIR-UHFFFAOYSA-N
- SMILES： N1C=CC2C=CC=CC=2C=1CC1C=CC=CC=1
Computed Properties
- Exact Mass: 219.104799
- Monoisotopic Mass: 219.104799
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 232
- 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
- Topological Polar Surface Area: 12.9
- XLogP3: 4.1
Experimental Properties
- Density: 1.0961 (rough estimate)
- Melting Point: 55.85°C
- Boiling Point: 350.1°C (rough estimate)
- Flash Point: 162.7°C
- Refractive Index: 1.7020 (estimate)
Isoquinoline,1-(phenylmethyl)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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