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CAS 122536-94-1
PharmaCompass
  • Chemistry
CAS 122536-94-1
Also known as: 122536-94-1, (s)-pyrrolidin-3-ol hydrochloride, (3s)-pyrrolidin-3-ol hydrochloride, (s)-(+)-3-pyrrolidinol hydrochloride, S-3-hydroxypyrrolidine-hcl, (s)-3-pyrrolidinol hydrochloride
Molecular Formula
C4H10ClNO
Molecular Weight
123.58  g/mol
InChI Key
QPMSJEFZULFYTB-WCCKRBBISA-N

1 2D Structure

CAS 122536-94-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3S)-pyrrolidin-3-ol;hydrochloride
2.1.2 InChI
InChI=1S/C4H9NO.ClH/c6-4-1-2-5-3-4;/h4-6H,1-3H2;1H/t4-;/m0./s1
2.1.3 InChI Key
QPMSJEFZULFYTB-WCCKRBBISA-N
2.1.4 Canonical SMILES
C1CNCC1O.Cl
2.1.5 Isomeric SMILES
C1CNC[C@H]1O.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 122536-94-1

2. (s)-pyrrolidin-3-ol Hydrochloride

3. (3s)-pyrrolidin-3-ol Hydrochloride

4. (s)-(+)-3-pyrrolidinol Hydrochloride

5. S-3-hydroxypyrrolidine-hcl

6. (s)-3-pyrrolidinol Hydrochloride

7. 3s-pyrrolidinol Hydrochloride

8. (s)-3-pyrrolidinol Hcl

9. (s)-pyrrolidin-3-ol, Hcl

10. Sbb004272

11. (s)-(-)-3-pyrrolidinol Hydrochloride

12. 3-pyrrolidinol, Hydrochloride, (3s)-

13. (3s)-3-hydroxypyrrolidine Hydrochloride

14. (s)-3-hydroxypyrrolidine Hcl

15. (s)-3-hydroxypyrrolidinehydrochloride

16. Pubchem8981

17. Ac1q3drg

18. (s)-pyrrolidin-3-ol Hcl

19. Ksc174m9r

20. Schembl322098

21. (s)-3-hydroxy Pyrrolidine Hcl

22. Jsp001512

23. (3s)pyrrolidin-3-ol, Chloride

24. Ctk0h4698

25. Dtxsid30624556

26. Ebd6552

27. Molport-000-004-312

28. Molport-044-811-418

29. Qpmsjefzulfytb-wcckrbbisa-n

30. (s)-pyrrolidine-3-ol Hydrochloride

31. Acn-s003422

32. Cs-m0906

33. Anw-43209

34. Ch0024

35. Cp-124

36. Mfcd00272298

37. (s)-pyrrolidin-3-ol (hydrochloride)

38. Akos005256286

39. 3-(s)-hydroxypyrrolidine Hydrochloride

40. Ac-1127

41. An-1348

42. Mcule-4680162054

43. Pb30638

44. Ps-9213

45. Rp00719

46. Rtr-003603

47. (s)-3-hydroxy-pyrrolidine Hydrochloride

48. Ks-0000032n

49. (s)-3-hydroxyl-pyrrolidine Hydrochloride

50. Ak-33013

51. Bc677872

52. Br-33013

53. K811

54. Kb-05408

55. Sy003190

56. (s)-3-hydroxypyrrolidine Hcl Salt

57. Ab0000951

58. Ab1001545

59. Db-011204

60. St2408327

61. Tl8000600

62. Tr-003603

63. Am20070695

64. Bg01496797

65. Ft-0602353

66. En300-69312

67. B-2062

68. H60042

69. (3s)-pyrrolidin-3-ol--hydrogen Chloride (1/1)

70. 706h470

71. I11-005

72. (s)-(+)-3-hydroxypyrrolidine Hydrochloride

73. (s)-3-hydroxypyrrolidine Hydrochloride, Aldrichcpr

74. Q-101007

75. Z1263714116

76. (3r)-(+)-(tert-butoxycarbonylamino)pyrrolidine; Tert-butyl-(r)-3-pyrrolidinylcarbamate

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 123.58 g/mol
Molecular Formula C4H10ClNO
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass123.045 g/mol
Monoisotopic Mass123.045 g/mol
Topological Polar Surface Area32.3 A^2
Heavy Atom Count7
Formal Charge0
Complexity46.8
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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