CAS 1193-65-3

Chemistry, 6 End Use API, 31 Related Intermediates

Manufacturers/Suppliers

7 Suppliers

7 Suppliers

Also known as: 1193-65-3, Quinuclidin-3-one hydrochloride, 3-quinuclidone hydrochloride, 1-azabicyclo[2.2.2]octan-3-one hydrochloride, 3-quinuclidinone hcl, 3-quinuclidinone, hcl

Molecular Formula

C₇H₁₂ClNO

Molecular Weight

161.63 g/mol

InChI Key

RFDPHKHXPMDJJD-UHFFFAOYSA-N

1 2D Structure

CAS 1193-65-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-azabicyclo[2.2.2]octan-3-one;hydrochloride

2.1.2 InChI

InChI=1S/C7H11NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6H,1-5H2;1H

2.1.3 InChI Key

RFDPHKHXPMDJJD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN2CCC1C(=O)C2.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1193-65-3

2. Quinuclidin-3-one Hydrochloride

3. 3-quinuclidone Hydrochloride

4. 1-azabicyclo[2.2.2]octan-3-one Hydrochloride

5. 3-quinuclidinone Hcl

6. 3-quinuclidinone, Hcl

7. 1-azabicyclo[2.2.2]octan-3-one, Hydrochloride

8. Mfcd00137391

9. 1-azabicyclo[2.2.2]octan-3-one;hydrochloride

10. 3-quinuclidnone Hydrochloride

11. 1-azabicyclo(2.2.2)octan-3-one, Hydrochloride

12. 1-azabicyclo[2.2.2]octan-3-one;hydron;chloride

13. 1-azabicyclo(2.2.2)octan-3-one, Hydrochloride (1:1)

14. C7h12clno

15. 1-azabicyclo[2.2.2]octan-3-one, Hydrochloride (1:1)

16. Einecs 214-776-5

17. Nsc 91498

18. C7h11nohcl

19. 3-quinuclidnone Hcl

20. Schembl232525

21. Quinuclidin-3-one Chlorhydrate

22. Chembl554124

23. Schembl3641783

24. 8.3-quinuclidinone Hcl

25. Dtxsid4061599

26. Quinuclidine-3-one Hydrochloride

27. Quinuclidine-3-one-hydrochloride

28. 3-quinuclidone Hydrochloride, 97%

29. Bcp26517

30. Cs-b0277

31. Nsc91498

32. Nsc-91498

33. Akos015848573

34. Akos015897101

35. Ac-2041

36. Am86381

37. Sb31630

38. (1s,4s)-quinuclidin-3-one Hydrochloride

39. As-13094

40. As-44249

41. Bp-12544

42. Sy003508

43. Db-028580

44. Ft-0616382

45. Q0052

46. En300-21346

47. 1-azabicyclo[2.2.2]-octan-3-one Hydrochloride

48. 193q653

49. Q-100090

50. F0001-0318

51. Quinuclidin-3-one Hydrochloride;3-quinuclidone Hydrochloride

52. 3-quinuclidinone Hydrochloride (6ci,7ci,8ci) 3-oxoquinuclidinehydrochloride

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₂ClNO
Molecular Weight	161.63 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	161.0607417 g/mol
Monoisotopic Mass	161.0607417 g/mol
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	10
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	2