14446-24-3

1 2D Structure

14446-24-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2,3,4-tetrahydroisoquinolin-6-ol

2.1.2 InChI

InChI=1S/C9H11NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-2,5,10-11H,3-4,6H2

2.1.3 InChI Key

SCMZIFSYPJICCV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCC2=C1C=C(C=C2)O

2.2 Other Identifiers

2.2.1 UNII

6WR7DU65P7

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 14446-24-3

2. 1,2,3,4-tetrahydro-isoquinolin-6-ol

3. 6-hydroxy-1,2,3,4-tetrahydroisoquinoline

4. 1,2,3,4-tetrahydro-6-isoquinolinol

5. 6-isoquinolinol, 1,2,3,4-tetrahydro-

6. Chembl310736

7. Mfcd01717047

8. 6-hydroxy-1,2,3,4-tetrahydro-isoquinoline

9. Brn 0127578

10. 6-hydroxytetrahydroisochinolin

11. 6wr7du65p7

12. Schembl1017452

13. Amy3837

14. Dtxsid80162711

15. Scmzifsypjiccv-uhfffaoysa-n

16. Cs-m3291

17. Bdbm50024822

18. Akos006333936

19. Ab09835

20. Ac-28820

21. Sy003117

22. Db-012697

23. Ft-0646913

24. H1572

25. En300-96853

26. Q-102330

27. Z3018438111

28. 1,2,3,4-tetrahydro-isoquinolin-6-ol;1,2,3,4-tetrahydroisoquinolin-6-ol

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₁NO
Molecular Weight	149.19 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	32.3
Heavy Atom Count	11
Formal Charge	0
Complexity	138
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

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