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CAS 104706-47-0
PharmaCompass
  • Chemistry
CAS 104706-47-0
Also known as: 104706-47-0, (r)-(-)-3-pyrrolidinol hydrochloride, (3r)-pyrrolidin-3-ol hydrochloride, (r)-pyrrolidin-3-ol hydrochloride, (r)-3-hydroxypyrrolidine hcl, (r)-3-pyrrolidinol hydrochloride
Molecular Formula
C4H10ClNO
Molecular Weight
123.58  g/mol
InChI Key
QPMSJEFZULFYTB-PGMHMLKASA-N

1 2D Structure

CAS 104706-47-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R)-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-;/m1./s1
2.1.3 InChI Key
QPMSJEFZULFYTB-PGMHMLKASA-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. 104706-47-0

2. (r)-(-)-3-pyrrolidinol Hydrochloride

3. (3r)-pyrrolidin-3-ol Hydrochloride

4. (r)-pyrrolidin-3-ol Hydrochloride

5. (r)-3-hydroxypyrrolidine Hcl

6. (r)-3-pyrrolidinol Hydrochloride

7. (3r)-3-hydroxypyrrolidine Hydrochloride

8. 3r-pyrrolidinol Hydrochloride

9. R-3-hydroxypyrrolidine Hydrochloride

10. (r)-(+)-3-pyrrolidinol Hydrochloride

11. (r)-(-)-3-hydroxypyrrolidine Hydrochloride

12. (3r)-3-pyrrolidinol Hydrochloride (1:1)

13. R-3-hydroxypyrrolidine-hcl

14. Pubchem7469

15. Ac1mc06g

16. Ac1q3dr5

17. Schembl16919

18. Ksc491e6j

19. Jsp000461

20. Ctk3j1264

21. Dtxsid90374747

22. Molport-000-004-317

23. Qpmsjefzulfytb-pgmhmlkasa-n

24. (r)-pyrrolidine-3-ol Hydrochloride

25. Act01716

26. Cs-b1358

27. R-(-)-3-pyrrolidinol Hydrochloride

28. Anw-15102

29. Cp-112

30. Cp0019

31. Mfcd00191570

32. (3r)-pyrrolidin-3-ol, Hcl

33. (r)-3-hydroxypyrrolidinehydrochloride

34. 3(r)-hydroxypyrrolidine Hydrochloride

35. 3-(r)-hydroxypyrrolidine Hydrochloride

36. 3r-hydroxypyrrolidine Monohydrochloride

37. Akos005146004

38. Akos005259011

39. Ac-6381

40. An-1347

41. Ls30061

42. Mcule-8578068948

43. Pb18456

44. Rp19554

45. Rtr-001025

46. Ks-000002y1

47. (r)-3-pyrrolidinol Hydrochloride, 98%

48. (r)-3-pyrrolindinol Hydrochloride

49. Ak-32737

50. Bc677867

51. Br-32737

52. Ds-12003

53. Kb-03254

54. Sc-00194

55. Sy003191

56. Ab0000479

57. Ab1001546

58. Db-031064

59. St2408165

60. Tl8000187

61. Tr-001025

62. Ft-0630037

63. P1140

64. En300-69313

65. A-2637

66. A26596

67. H60050

68. 706p470

69. I11-004

70. Q-200025

71. Z1263714129

2.3 Create Date
2005-07-19
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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