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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 333-93-7, Putrescine dihydrochloride, Putrescine hydrochloride, Tetramethylenediamine dihydrochloride, 1,4-diaminobutane 2hcl, 1,4-butanediamine dihydrochloride

Molecular Formula

C₄H₁₄Cl₂N₂

Molecular Weight

161.07 g/mol

InChI Key

XXWCODXIQWIHQN-UHFFFAOYSA-N

FDA UNII

X45SUR7RHY

1 2D Structure

Putrescine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

butane-1,4-diamine;dihydrochloride

2.1.2 InChI

InChI=1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H

2.1.3 InChI Key

XXWCODXIQWIHQN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CCN)CN.Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

X45SUR7RHY

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 333-93-7

2. Putrescine Dihydrochloride

3. Putrescine Hydrochloride

4. Tetramethylenediamine Dihydrochloride

5. 1,4-diaminobutane 2hcl

6. 1,4-butanediamine Dihydrochloride

7. 1,4-butanediamine, Dihydrochloride

8. Butane-1,4-diamine Dihydrochloride

9. Butane-1,4-diamine;dihydrochloride

10. X45sur7rhy

11. 1,4-butanediamine, Hydrochloride

12. Mfcd00012526

13. 1,4-diaminobutane (dihydrochloride)

14. Nsc-5861

15. 1,4-diaminobutane, Dihydrochloride

16. Sr-01000076079

17. Nsc 5861

18. Einecs 206-375-9

19. Unii-x45sur7rhy

20. Ai3-18304

21. Tetramethylenediammonium Dichloride

22. Putrescindihydrochlorid

23. 1,4-butanediamine, Hydrochloride (1:2)

24. 1,4-diaminobutane*2hcl

25. Tetramethylenediamine*2hcl

26. Schembl29458

27. Spectrum1503952

28. Chembl1528028

29. Dtxsid5059824

30. Hy-y1781

31. Tox21_500972

32. Ccg-39461

33. Akos015845890

34. Ac-4426

35. Lp00972

36. Putrescine Dihydrochloride [mi]

37. Sb75758

38. Ncgc00094272-01

39. Ncgc00094272-02

40. Ncgc00261657-01

41. As-14367

42. Putrescine Dihydrochloride, >=98% (tlc)

43. Db-048395

44. Am20090504

45. Cs-0019391

46. D0081

47. Eu-0100972

48. Ft-0606835

49. Ft-0772419

50. S5344

51. N11902

52. P 7505

53. P-8000

54. A821757

55. Sr-01000076079-1

56. Sr-01000076079-4

57. Q27293545

58. 1,4-diaminobutane Dihydrochloride, Purum, >=99.0% (at)

59. Putrescine Dihydrochloride 100 Microg/ml In Acetonitrile:water

60. Putrescine Dihydrochloride, Vetec(tm) Reagent Grade, >=98%

61. Putrescine Dihydrochloride, Powder, Bioreagent, Suitable For Cell Culture

62. Putrescine Dihydrochloride, Gamma-irradiated, Lyophilized Powder, Bioxtra, Suitable For Cell Culture

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₄H₁₄Cl₂N₂
Molecular Weight	161.07 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	160.0534038 g/mol
Monoisotopic Mass	160.0534038 g/mol
Topological Polar Surface Area	52 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	17.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3