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2D Structure
Also known as: Isoquinolin-4-amine, 23687-25-4, 4-isoquinolinamine, 4-isoquinolylamine, Isoquinoline, 4-amino-, 4-amino isoquinoline
Molecular Formula
C9H8N2
Molecular Weight
144.17  g/mol
InChI Key
ISIUXVGHQFJYHM-UHFFFAOYSA-N
FDA UNII
EX5SYG47SP

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
isoquinolin-4-amine
2.1.2 InChI
InChI=1S/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2
2.1.3 InChI Key
ISIUXVGHQFJYHM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C=NC=C2N
2.2 Other Identifiers
2.2.1 UNII
EX5SYG47SP
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Isoquinolin-4-amine

2. 23687-25-4

3. 4-isoquinolinamine

4. 4-isoquinolylamine

5. Isoquinoline, 4-amino-

6. 4-amino Isoquinoline

7. Isoquinolin-4-ylamine

8. Mfcd00034752

9. Ex5syg47sp

10. 4-amino-isoquinoline

11. Nsc-170840

12. Einecs 245-823-8

13. Nsc170840

14. Isoquinolin-4-yl-amine

15. Unii-ex5syg47sp

16. 4-aminoisoquinoline, 97%

17. Schembl1325881

18. Dtxsid20178351

19. Albb-026672

20. Ab1274

21. Akos006345437

22. Cs-w008059

23. Hy-w008059

24. Nsc 170840

25. Ps-4545

26. Ac-24179

27. Sy020016

28. Db-006655

29. Am20070002

30. Ns00050292

31. En300-115319

32. Ae-842/31875006

33. W-206846

34. Inchi=1/c9h8n2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6h,10h

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 144.17 g/mol
Molecular Formula C9H8N2
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area38.9
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1