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CAS 52605-52-4 manufacturers and suppliers on PharmaCompass

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1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride
Also known as: 52605-52-4, 1-(3-chlorophenyl)-4-(3-chloropropyl)-piperazine hydrochloride, 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine monohydrochloride, Trazodone related compound f, Nefazodone related compound a, 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride
Molecular Formula
C13H19Cl3N2
Molecular Weight
309.7  g/mol
InChI Key
JVLRNANYLVRULL-UHFFFAOYSA-N
FDA UNII
2692F180CJ

1 2D Structure

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride
2.1.2 InChI
InChI=1S/C13H18Cl2N2.ClH/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13;/h1,3-4,11H,2,5-10H2;1H
2.1.3 InChI Key
JVLRNANYLVRULL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCN1CCCCl)C2=CC(=CC=C2)Cl.Cl
2.2 Other Identifiers
2.2.1 UNII
2692F180CJ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 52605-52-4

2. 1-(3-chlorophenyl)-4-(3-chloropropyl)-piperazine Hydrochloride

3. 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine Monohydrochloride

4. Trazodone Related Compound F

5. Nefazodone Related Compound A

6. 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride

7. 2692f180cj

8. 1-(3-chloropropyl)-4-(3-chlorophenyl)piperazine Hydrochloride

9. Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-, Monohydrochloride

10. 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazinium Chloride

11. 1-(3-chlorophenyl)-4-(3-chloropropyl) Piperazine Hydrochloride

12. Unii-2692f180cj

13. 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine (ccp)

14. Einecs 258-038-0

15. Ec 258-038-0

16. Dsstox_cid_31550

17. Dsstox_rid_97435

18. Dsstox_gsid_57761

19. Schembl1254640

20. Chembl3186498

21. Dtxsid9057761

22. Amy3600

23. Tox21_113914

24. Mfcd00067039

25. Akos015897793

26. Ac-7638

27. Cs-w009317

28. Ncgc00262916-01

29. As-13192

30. Bp-12834

31. Cas-52605-52-4

32. Db-018500

33. C1608

34. Ft-0605822

35. Trazodone Related Compound F [usp-rs]

36. Nefazodone Related Compound A [usp-rs]

37. A824629

38. Nefazodone Related Compound A [usp Impurity]

39. Trazodone Related Compound F [usp Impurity]

40. W-105809

41. W-106421

42. Q27254074

43. 1-(3-chlorophenyl)-4-(3-chloropropyl) Piperazine Hcl

44. 1-(3-chlorophenyl)-4-(3-chloro Propyl)piperazine Hydrochloride

45. 1-(3-chlorophenyl)-4-(3-chloroproyl)piperazine Hydrochloride

46. 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine Monohydrochloride, 97%

47. Nefazodone Related Compound A, United States Pharmacopeia (usp) Reference Standard

48. Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-, Hydrochloride (1:1)

49. Trazodone Related Compound F, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 309.7 g/mol
Molecular Formula C13H19Cl3N2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass308.061382 g/mol
Monoisotopic Mass308.061382 g/mol
Topological Polar Surface Area6.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity218
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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