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CAS 151213-40-0
PharmaCompass
CAS 151213-40-0
Also known as: 151213-40-0, (s,s)-2,8-diazabicyclo[4,3,0]nonane, (4as,7as)-octahydro-1h-pyrrolo[3,4-b]pyridine, 151213-42-2, (s,s)-2,8-diazabicyclo[4.3.0]nonane, (s,s)-2,8-diazabicyclo [4,3,0]nonane
Molecular Formula
C7H14N2
Molecular Weight
126.203  g/mol
InChI Key
KSCPLKVBWDOSAI-NKWVEPMBSA-N

1 2D Structure

CAS 151213-40-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
2.1.2 InChI
InChI=1S/C7H14N2/c1-2-6-4-8-5-7(6)9-3-1/h6-9H,1-5H2/t6-,7+/m0/s1
2.1.3 InChI Key
KSCPLKVBWDOSAI-NKWVEPMBSA-N
2.1.4 Canonical SMILES
C1CC2CNCC2NC1
2.1.5 Isomeric SMILES
C1C[C@H]2CNC[C@H]2NC1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 151213-40-0

2. (s,s)-2,8-diazabicyclo[4,3,0]nonane

3. (4as,7as)-octahydro-1h-pyrrolo[3,4-b]pyridine

4. 151213-42-2

5. (s,s)-2,8-diazabicyclo[4.3.0]nonane

6. (s,s)-2,8-diazabicyclo [4,3,0]nonane

7. (s,s)-2,8-diazabicyclo[4,3,0] Nonane

8. [s,s]-2,8-diazabicyclo[4,3,0]nonane

9. (4as,7as)-2,3,4,4a,5,6,7,7a-octahydro-1h-pyrrolo[3,4-b]pyridine

10. 1h-pyrrolo[3,4-b]pyridine, Octahydro-, (4as,7as)-

11. (s,s)-2,8-diazabicyclo(4,3,0)nonane

12. Pubchem11457

13. 1h-pyrrolo[3,4-b]pyridine,octahydro-, (4ar,7ar)-

14. Schembl606385

15. Ctk4c6945

16. Kscplkvbwdosai-nkwvepmbsa-n

17. Molport-000-001-329

18. Act04867

19. Ac-313

20. Anw-57732

21. Cd-020

22. Cd0033

23. Fd6047

24. Mfcd08458306

25. Zinc38338210

26. Cis-2,8-diazabicyclo[4.3.0]nonane

27. Akos015854365

28. Acn-026805

29. Ls30169

30. Ne13942

31. Rp17815

32. Ac-24293

33. Ak-50695

34. An-15976

35. As-13398

36. Bc209441

37. I079

38. Sc-47442

39. Ab0013469

40. Ab1004293

41. Kb-207883

42. Rt-005749

43. St2402909

44. D4210

45. St51051473

46. En300-84574

47. (s,s)-(-)-2,8-diazabicyclo[4,3,0]nonane

48. B-1794

49. (4as,7as)-1h-octahydropyrrolo[3,4-b]pyridine

50. 213d400

51. A809136

52. (1s,6s)-2,8-diazabicyclo[4.3.0]nonane, 97%

53. J-520093

54. (4as,7as)-octahydro-1h-pyrrolo[3,4-b]pyridine(4as-cis)-octahydro-1h-pyrrolo[3,4-b]pyridine

55. 2,8-diazabicyclo[4.3.0]nonane; Cis-octahydropyrrolo[3,4-b]pyridine; (r,r)-2,8-diazabicyclo[4,3,0]nonane; (4as,7as)-octahydro-1hpyrrolo[3,4-b]pyridine

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 126.203 g/mol
Molecular Formula C7H14N2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass126.116 g/mol
Monoisotopic Mass126.116 g/mol
Topological Polar Surface Area24.1 A^2
Heavy Atom Count9
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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