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2D Structure
Also known as: Hepes sodium salt, 75277-39-3, Hepes hemisodium salt, 103404-87-1, Sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate, 4-(2-hydroxyethyl)piperazine-1-ethanesulfonic acid hemisodium salt
Molecular Formula
C8H17N2NaO4S
Molecular Weight
260.29  g/mol
InChI Key
RDZTWEVXRGYCFV-UHFFFAOYSA-M
FDA UNII
Z9FTO91O8A

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate
2.1.2 InChI
InChI=1S/C8H18N2O4S.Na/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;/h11H,1-8H2,(H,12,13,14);/q;+1/p-1
2.1.3 InChI Key
RDZTWEVXRGYCFV-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C1CN(CCN1CCO)CCS(=O)(=O)[O-].[Na+]
2.2 Other Identifiers
2.2.1 UNII
Z9FTO91O8A
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Hepes Sodium Salt

2. 75277-39-3

3. Hepes Hemisodium Salt

4. 103404-87-1

5. Sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate

6. 4-(2-hydroxyethyl)piperazine-1-ethanesulfonic Acid Hemisodium Salt

7. 1-piperazineethanesulfonic Acid, 4-(2-hydroxyethyl)-, Monosodium Salt

8. Hepes (sodium)

9. 4-(2-hydroxyethyl)piperazine-1-ethanesulfonic Acid Sodium Salt

10. Sodium 4-(2-hydroxyethyl)piperazin-1-ylethanesulphonate

11. Z9fto91o8a

12. Sodium;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate

13. Chebi:46758

14. N-(2-hydroxyethyl)piperazine-n'-(2-ethanesulfonic Acid) Sodium Salt

15. 1-piperazineethanesulfonic Acid, 4-(2-hydroxyethyl)-, Sodium Salt (1:1)

16. N-(2-hydroxyethyl)piperazine-n'-2-ethanesulfonic Acid,sodium Salt

17. Hepes Sodium Salt, >=99.5% (titration)

18. Unii-z9fto91o8a

19. Sodium Hepes

20. Einecs 278-169-7

21. Mfcd00036463

22. Hepes, Sodium Salt

23. Hepes Na

24. Hepes Sodium Salt, 98%

25. Dsstox_cid_24458

26. Dsstox_rid_80244

27. Dsstox_gsid_44458

28. Schembl229142

29. Was-14

30. Chembl3187284

31. Dtxsid4044458

32. Hepes Sodium Salt Solution (1m)

33. Tox21_302155

34. N-(2-hydroxyethyl)piperazine-n-(2-ethanesulfonicacid)hemisodiumsalt

35. Hepes Sodium Salt, Biochemical Grade

36. Akos015897769

37. Akos015912229

38. Akos015964204

39. Ncgc00255791-01

40. Cas-75277-39-3

41. Hy-108535

42. B7303

43. Cs-0029103

44. Ft-0610868

45. F20319

46. A838366

47. Sodium N'-hydroxyethyl-n-piperazineethanesulfonate

48. Hepes Sodium Salt, Bioxtra, >=99.0% (titration)

49. Hepes Sodium Salt, Vetec(tm) Reagent Grade, 96%

50. W-104397

51. Q27120698

52. Sodium2-(4-(2-hydroxyethyl)piperazin-1-yl)ethanesulfonate

53. 4-(2-hydroxyethyl)-1-piperazineethanesulfonic Acid Sodium Salt

54. 4-(2-hydroxyethyl)-1-piperazineethanesulfonic Acid, Monosodium Salt

55. N-(2-hydroxyethyl)piperazine-n'-(2-ethanesulfonic Acid)sodiumsalt

56. N-2-hydroxyethylpiperazine-n'-2-ethanesulphonic Acid Hemisodium Salt

57. Hepes Sodium Salt Solution, 1m, Bioreagent, Suitable For Cell Culture

58. Hepes Sodium Salt, Bioperformance Certified, Suitable For Cell Culture, >=99.5%

59. Hepes Sodium Salt, Pharmagrade, Manufactured Under Appropriate Controls For Use As A Raw Material In Pharma Or Biopharmaceutical Production, Suitable For Cell Culture

60. Sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate;sodium 2-(4-(2-hydroxyethyl)piperazin-1-yl)ethanesulfonate

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 260.29 g/mol
Molecular Formula C8H17N2NaO4S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass260.08067248 g/mol
Monoisotopic Mass260.08067248 g/mol
Topological Polar Surface Area92.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity272
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2