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(1R,2S)-N-Pyrrolidinyl-L-Norephedrine Base
PharmaCompass
  • Chemistry
(1R,2S)-N-Pyrrolidinyl-L-Norephedrine Base
Also known as: 127641-25-2, (1r,2s)-1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1r,2s)-1-phenyl-2-(1-pyrrolidinyl)-1-propanol, Unii-wis9q321lw, Wis9q321lw, (1r,2s)-1-phenyl-2-pyrrolidin-1-yl-propan-1-ol
Molecular Formula
C13H19NO
Molecular Weight
205.301  g/mol
InChI Key
FZVHJGJBJLFWEX-AAEUAGOBSA-N
FDA UNII
WIS9Q321LW

1 2D Structure

(1R,2S)-N-Pyrrolidinyl-L-Norephedrine Base

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
2.1.2 InChI
InChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/m0/s1
2.1.3 InChI Key
FZVHJGJBJLFWEX-AAEUAGOBSA-N
2.1.4 Canonical SMILES
CC(C(C1=CC=CC=C1)O)N2CCCC2
2.1.5 Isomeric SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)O)N2CCCC2
2.2 Other Identifiers
2.2.1 UNII
WIS9Q321LW
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 127641-25-2

2. (1r,2s)-1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol

3. (1r,2s)-1-phenyl-2-(1-pyrrolidinyl)-1-propanol

4. Unii-wis9q321lw

5. Wis9q321lw

6. (1r,2s)-1-phenyl-2-pyrrolidin-1-yl-propan-1-ol

7. (1r,2s)-n,n-tetramethylenenorephedrine

8. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, (alphar,betas)-

9. Schembl597166

10. 1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1r,2s)-

11. Ctk8a9946

12. Dtxsid60446061

13. Fzvhjgjbjlfwex-aaeuagobsa-n

14. Molport-003-936-362

15. Ks-000013zp

16. Zinc5019066

17. An-270

18. Anw-18985

19. Akos015840428

20. Akos015904312

21. Rtr-003953

22. Db-062600

23. Threo-dihydro-alpha-pyrrolidinopropiophenone

24. Tr-003953

25. (1r,2s)-2-pyrrolidino-1-phenyl-1-propanol

26. Ft-0604543

27. P1374

28. St24033563

29. (1r,2s)-1-phenyl-2-pyrrolizino-1-propanol

30. (+)-threo-dihydro-alpha-pyrrolidinopropiophenone

31. 1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol, Threo-

32. J-005517

33. I14-16802

34. I14-37295

35. (1r,2s)-(+)-2-(1-pyrrolidyl)-1-phenylpropan-1-ol

36. (1r,2s)-1-phenyl-2-(1-pyrrolidinyl)-1-propanol, 98%

37. Unii-4r3uv0b3de Component Fzvhjgjbjlfwex-aaeuagobsa-n

38. Unii-9ug27x020r Component Fzvhjgjbjlfwex-aaeuagobsa-n

39. (alphar,betas)-beta-methyl-alpha-phenyl-1-pyrrolidineethanol

40. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, (r*,s*)-(+/-)-

41. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, (r-(r*,s*))-

42. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, (alphar,betas)-rel-

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 205.301 g/mol
Molecular Formula C13H19NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass205.147 g/mol
Monoisotopic Mass205.147 g/mol
Topological Polar Surface Area23.5 A^2
Heavy Atom Count15
Formal Charge0
Complexity183
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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