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Overview of CAS 90657-55-9

Client Email Product
(4S)-4-Cyclohexyl-L-proline--hydrogen chloride (1/1)
PharmaCompass
(4S)-4-Cyclohexyl-L-proline--hydrogen chloride (1/1)
Also known as: 90657-55-9, H-chpro-oh.hcl, (2s,4s)-4-cyclohexylpyrrolidine-2-carboxylic acid hydrochloride, Ak-46167, L-proline, 4-cyclohexyl-, hydrochloride, (4s)-, Trans-4-cyclohexyl-l-proline hcl
Molecular Formula
C11H20ClNO2
Molecular Weight
233.736  g/mol
InChI Key
BHGFUQJUTOVQOS-UXQCFNEQSA-N

1 2D Structure

(4S)-4-Cyclohexyl-L-proline--hydrogen chloride (1/1)

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
2.1.2 InChI
InChI=1S/C11H19NO2.ClH/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8;/h8-10,12H,1-7H2,(H,13,14);1H/t9-,10+;/m1./s1
2.1.3 InChI Key
BHGFUQJUTOVQOS-UXQCFNEQSA-N
2.1.4 Canonical SMILES
C1CCC(CC1)C2CC(NC2)C(=O)O.Cl
2.1.5 Isomeric SMILES
C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 90657-55-9

2. H-chpro-oh.hcl

3. (2s,4s)-4-cyclohexylpyrrolidine-2-carboxylic Acid Hydrochloride

4. Ak-46167

5. L-proline, 4-cyclohexyl-, Hydrochloride, (4s)-

6. Trans-4-cyclohexyl-l-proline Hcl

7. Pubchem9992

8. Fosinopril Impurity C Hcl

9. Trans-4-cyclohexyl Proline Hcl

10. Schembl3418559

11. Dtxsid90510300

12. Bhgfuqjutovqos-uxqcfneqsa-n

13. Molport-020-179-994

14. Ks-00000ot2

15. Anw-50029

16. Mfcd08704794

17. Sbb066748

18. Akos015843984

19. Akos015898070

20. Ac-6231

21. Cs-w006093

22. Gs-3299

23. Rp28090

24. An-10224

25. Br-46167

26. S306

27. Sc-07266

28. Ab0018562

29. Ax8213055

30. Db-057215

31. Kb-261120

32. Tr-028481

33. (trans)-4-cyclohexyl-l-proline Hydrochloride

34. Ft-0642177

35. St24026012

36. M-1785

37. 657c559

38. (4s)-4-cyclohexyl-l-proline Hydrochloride (1:1)

39. J-525020

40. (4s)-4-cyclohexyl-l-proline--hydrogen Chloride (1/1)

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 233.736 g/mol
Molecular Formula C11H20ClNO2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass233.118 g/mol
Monoisotopic Mass233.118 g/mol
Topological Polar Surface Area49.3 A^2
Heavy Atom Count15
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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