1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

isoquinolin-6-amine

2.1.2 InChI

InChI=1S/C9H8N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H,10H2

2.1.3 InChI Key

NGFCTYXFMDWFRQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C=CN=C2)C=C1N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Isoquinolin-6-amine

2. 23687-26-5

3. 6-isoquinolinamine

4. Isoquinolin-6-ylamine

5. 6-amino-isoquinoline

6. Chembl28687

7. Mfcd04114862

8. Isoquinoline, 6-amino-

9. Schembl112842

10. 6-aminoisoquinoline, Aldrichcpr

11. Dtxsid70343315

12. Act10648

13. Bcp23492

14. Zinc2527080

15. Bdbm50126281

16. Perphenazinesulfoxide(100mg)

17. Akos006229814

18. Ab19123

19. Ac-5990

20. Cs-w019654

21. Ps-5598

22. Sy021134

23. Am20061843

24. Ft-0647924

25. A26442

26. 687a265

27. W-206847

28. Z1741968324

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₉H₈N₂
Molecular Weight	144.17 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	144.068748264 g/mol
Monoisotopic Mass	144.068748264 g/mol
Topological Polar Surface Area	38.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 23687-26-5

CAS 23687-26-5

CHEMISTRY

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