Cas no 109571-87-1 (5-Isoquinolinamine,N-phenyl-)
5-Isoquinolinamine,N-phenyl- structure
Product Name:5-Isoquinolinamine,N-phenyl-
CAS No:109571-87-1
MF:C15H12N2
MW:220.269183158875
CID:128483
PubChem ID:13497488
Update Time:2025-04-18
5-Isoquinolinamine,N-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoquinolinamine,N-phenyl-
- 5-Isoquinolinamine,N-phenyl-(9CI)
- N-Phenylisoquinolin-5-amine
- 109571-87-1
-
- Inchi： 1S/C15H12N2/c1-2-6-13(7-3-1)17-15-8-4-5-12-11-16-10-9-14(12)15/h1-11,17H
- InChI Key： DOHVVKMJNAQILD-UHFFFAOYSA-N
- SMILES： N(C1C=CC=CC=1)C1=CC=CC2C=NC=CC1=2
Computed Properties
- Exact Mass: 220.10016
- Monoisotopic Mass: 220.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 235
- 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: 3.6
- Topological Polar Surface Area: 24.9?2
Experimental Properties
- PSA: 24.92
5-Isoquinolinamine,N-phenyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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