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Also known as: 122536-94-1, (s)-pyrrolidin-3-ol hydrochloride, (s)-3-pyrrolidinol hydrochloride, (3s)-pyrrolidin-3-ol hydrochloride, 3-pyrrolidinol, hydrochloride, (3s)-, (s)-pyrrolidin-3-ol, hcl
Molecular Formula
C4H10ClNO
Molecular Weight
123.58  g/mol
InChI Key
QPMSJEFZULFYTB-WCCKRBBISA-N
FDA UNII
XY8EDF8GSP

CAS 122536-94-1
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 Other Identifiers
2.2.1 UNII
XY8EDF8GSP
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 122536-94-1

2. (s)-pyrrolidin-3-ol Hydrochloride

3. (s)-3-pyrrolidinol Hydrochloride

4. (3s)-pyrrolidin-3-ol Hydrochloride

5. 3-pyrrolidinol, Hydrochloride, (3s)-

6. (s)-pyrrolidin-3-ol, Hcl

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

8. (s)-3-hydroxypyrrolidine Hcl

9. Xy8edf8gsp

10. (3s)-pyrrolidin-3-ol;hydrochloride

11. 3-pyrrolidinol, Hydrochloride (1:1), (3s)-

12. (s)-3-hydroxy Pyrrolidine Hcl

13. (3s)-3-hydroxypyrrolidine Hydrochloride

14. 3-pyrrolidinol Hydrochloride, (3s)-

15. 3-pyrrolidinol, Hydrochloride, (s)-

16. S-3-hydroxypyrrolidine-hcl

17. Mfcd00272298

18. (s)-3-hydroxypyrrolidinehydrochloride

19. Unii-xy8edf8gsp

20. 3s-pyrrolidinol Hydrochloride

21. Schembl322098

22. (s)-3-pyrrolidinol Hcl

23. Dtxsid30624556

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

25. Bcp14826

26. Cs-m0906

27. Akos005256286

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

29. 3-(s)-hydroxypyrrolidine Hydrochloride

30. Ac-1127

31. Ps-9213

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

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

34. Am20070695

35. En300-69312

36. (3s)-pyrrolidin-3-ol--hydrogen Chloride (1/1)

37. 706h470

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

39. Q-101007

40. Z1263714116

2.4 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 Mass123.0450916 g/mol
Monoisotopic Mass123.0450916 g/mol
Topological Polar Surface Area32.3 Ų
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

BUILDING BLOCK

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