CAS 20232-39-7

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Chemistry

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Also known as: 20232-39-7, 6,7-dimethoxy-3,4-dihydroisoquinoline, hcl, 3,4-dihydro-6,7-dimethoxyisoquinoline hydrochloride, 6,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride, Mfcd00143492, Nsc-216069

Molecular Formula

C₁₁H₁₄ClNO₂

Molecular Weight

227.69 g/mol

InChI Key

PQXVEYYRJHMTEV-UHFFFAOYSA-N

FDA UNII

WGL5C66P4J

1 2D Structure

CAS 20232-39-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride

2.1.2 InChI

InChI=1S/C11H13NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-7H,3-4H2,1-2H3;1H

2.1.3 InChI Key

PQXVEYYRJHMTEV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C2C=NCCC2=C1)OC.Cl

2.2 Other Identifiers

2.2.1 UNII

WGL5C66P4J

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 20232-39-7

2. 6,7-dimethoxy-3,4-dihydroisoquinoline, Hcl

3. 3,4-dihydro-6,7-dimethoxyisoquinoline Hydrochloride

4. 6,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride

5. Mfcd00143492

6. Nsc-216069

7. 6,7-dimethoxy-3,4-dihydroisoquinoline Hcl

8. Isoquinoline, 3,4-dihydro-6,7-dimethoxy-, Hydrochloride (1:1)

9. Wgl5c66p4j

10. Isoquinoline, 3,4-dihydro-6,7-dimethoxy-, Hydrochloride

11. Schembl10422728

12. Dtxsid40942339

13. Bcp26017

14. Nsc216069

15. Akos015846160

16. Cs-w002427

17. Ds-1708

18. Ac-22650

19. Bp-30016

20. Sy009731

21. Am20120606

22. D4629

23. Ft-0637960

24. 232d397

25. 3,4-dihydro-6,7-dimethoxyisoquinolinehydrochloride

26. J-650348

27. 3,4-dihydro-6,7 -dimethoxyisoquinoline Hydrochloride

28. 6,7-dimethoxy-3,4-dihydroisoquinoline Hydro-chloride

29. 6,7-dimethoxy-3,4-dihydroisoquinoline Hydrochloride, Aldrichcpr

30. 6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen Chloride (1/1)

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄ClNO₂
Molecular Weight	227.69 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	227.0713064 g/mol
Monoisotopic Mass	227.0713064 g/mol
Topological Polar Surface Area	30.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	217
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	2