CAS 127641-25-2

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2 End Use APIs
11 Related Intermediates

Chemistry

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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

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 Formula	C₁₃H₁₉NO
Molecular Weight	205.30 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	205.146664230 g/mol
Monoisotopic Mass	205.146664230 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	183
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1