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Also known as: 351-50-8, H-d-his-oh, (r)-2-amino-3-(1h-imidazol-4-yl)propanoic acid, D-his, (2r)-2-amino-3-(1h-imidazol-5-yl)propanoic acid, D-histamine

Molecular Formula

C₆H₉N₃O₂

Molecular Weight

155.15 g/mol

InChI Key

HNDVDQJCIGZPNO-RXMQYKEDSA-N

FDA UNII

4JE5HRM5CH

1 2D Structure

MolPort-001-794-138

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid

2.1.2 InChI

InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1

2.1.3 InChI Key

HNDVDQJCIGZPNO-RXMQYKEDSA-N

2.1.4 Canonical SMILES

C1=C(NC=N1)CC(C(=O)O)N

2.1.5 Isomeric SMILES

C1=C(NC=N1)C[C@H](C(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

4JE5HRM5CH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 351-50-8

2. H-d-his-oh

3. (r)-2-amino-3-(1h-imidazol-4-yl)propanoic Acid

4. D-his

5. (2r)-2-amino-3-(1h-imidazol-5-yl)propanoic Acid

6. D-histamine

7. D-histidin

8. (2r)-2-amino-3-(1h-imidazol-4-yl)propanoic Acid

9. Chebi:27947

10. (r)-2-amino-3-(4-imidazolyl)propionic Acid

11. 4je5hrm5ch

12. D-histidine Hydrochloride Monohydrate

13. (r)-alpha-amino-1h-imidazole-4-propionic Acid

14. (2r)-2-ammonio-3-(1h-imidazol-4-yl)propanoate

15. D-histidine Hydrochloride

16. Mfcd00065963

17. D-histidine; D-his-oh

18. Copper-histidine

19. (r)-histidine

20. Einecs 206-513-8

21. 2ez7

22. Histidine, D-

23. Unii-4je5hrm5ch

24. Schembl59365

25. D-histidine (h-d-his-oh)

26. Chembl104875

27. Gtpl4679

28. Niosh/ms3116000

29. Dtxsid70889344

30. Histidine, Monohydrochloride, D-

31. D-histidine, >=98% (tlc)

32. 7006-35-1

33. Zinc6661404

34. Bbl009711

35. Bdbm50463187

36. Fd3017

37. Stl141076

38. Akos005716904

39. Akos015854102

40. Akos032949750

41. Ac-8655

42. Am81800

43. Cs-w013288

44. Hy-w012572

45. Ncgc00142611-01

46. Ncgc00142611-02

47. As-13490

48. D-histidine, Puriss., >=99.0% (t)

49. D-a-amino-ss-(4-imidazolyl)propionic Acid

50. D-histidine, Vetec(tm) Reagent Grade, 98%

51. H0998

52. Ms31160000

53. C06419

54. M02972

55. 3-(1h-imidazole-4-yl)-2-aminopropanoic Acid;

56. 351h508

57. A822610

58. A836759

59. (2r)-2-azanyl-3-(1h-imidazol-5-yl)propanoic Acid

60. Q-101530

61. Q27077043

62. Z1270387295

63. E13ff66c-6b46-4431-ae14-82a8d0c9dd56

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₆H₉N₃O₂
Molecular Weight	155.15 g/mol
XLogP3	-3.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	155.069476538 g/mol
Monoisotopic Mass	155.069476538 g/mol
Topological Polar Surface Area	92 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1