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Also known as: 127641-25-2, (1r,2s)-1-phenyl-2-(1-pyrrolidinyl)-1-propanol, (1r,2s)-1-phenyl-2-(1-pyrrolidinyl)propan-1-ol, 4r3uv0b3de, Wis9q321lw, (1r,2s)-1-phenyl-2-pyrrolidin-1-yl-propan-1-ol
Molecular Formula
C13H19NO
Molecular Weight
205.30  g/mol
InChI Key
FZVHJGJBJLFWEX-AAEUAGOBSA-N
FDA UNII
WIS9Q321LW

CAS 127641-25-2
1 2D Structure

CAS 127641-25-2

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-(1-pyrrolidinyl)-1-propanol

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

4. 4r3uv0b3de

5. Wis9q321lw

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

7. (1r,2s)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol

8. 1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1r,2s)-

9. (1r,2s)-2-pyrrolidino-1-phenyl-1-propanol

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

11. (1r,2s)-(+)-2-(1-pyrrolidyl)-1-phenylpropan-1-ol

12. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, (alphar,betas)-

13. (1r,2s)-n,n-tetramethylenenorephedrine

14. Mfcd01632702

15. Unii-4r3uv0b3de

16. Unii-wis9q321lw

17. Schembl597166

18. Dtxsid60446061

19. (1s,2r)-n-tosylephedrine

20. Zinc5019066

21. Akos015840428

22. Akos015904312

23. Cs-w015370

24. As-68392

25. Threo-dihydro-alpha-pyrrolidinopropiophenone

26. P1374

27. (1r,2s)-1-phenyl-2-pyrrolizino-1-propanol

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

29. A889167

30. J-005517

31. Threo-dihydro-.alpha.-pyrrolidinopropiophenone

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

33. (1r,2s)-1-phenyl-2-(1-pyrrolidinyl)-1-propanol, 98%

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

35. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, (r*,s*)-(+/-)-

36. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, (r-(r*,s*))-

37. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, (alphar,betas)-rel-

38. (.alpha.r,.beta.s)-.beta.-methyl-.alpha.-phenyl-1-pyrrolidineethanol

39. 1-pyrrolidineethanol, .beta.-methyl-.alpha.-phenyl-, (.alpha.r,.beta.s)-

40. 1-pyrrolidineethanol, .beta.-methyl-.alpha.-phenyl-, (.alpha.r,.beta.s)-rel-

41. 1-pyrrolidineethanol, .beta.-methyl-.alpha.-phenyl-, (r*,s*)-(+/-)-

42. 1-pyrrolidineethanol, .beta.-methyl-.alpha.-phenyl-, (r-(r*,s*))-

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 205.30 g/mol
Molecular Formula C13H19NO
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass205.146664230 g/mol
Monoisotopic Mass205.146664230 g/mol
Topological Polar Surface Area23.5 Ų
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

BUILDING BLOCK

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