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Chemistry

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Also known as: 6459-59-2, 2-amino-3-(1h-imidazol-4-yl)propanoic acid hydrochloride, Dl-histidine hydrochloride, Dl-histidine monohcl, 2-amino-3-(1h-imidazol-5-yl)propanoic acid;hydrochloride, L-hisidine monohydrocholoride

Molecular Formula

C₆H₁₀ClN₃O₂

Molecular Weight

191.61 g/mol

InChI Key

QZNNVYOVQUKYSC-UHFFFAOYSA-N

1 2D Structure

Histidine Dihydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

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

2.1.3 InChI Key

QZNNVYOVQUKYSC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6459-59-2

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

3. Dl-histidine Hydrochloride

4. Dl-histidine Monohcl

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

6. L-hisidine Monohydrocholoride

7. L-(+)-histidine Monohydrochloride

8. H-his-oh.hcl.h2o

9. Dl-histidine, Hydrochloride

10. L-histidine, Monohydrochloride

11. L-histidine Monohydrochloride

12. (-)-histidine Monohydrochloride; Histidine Hydrochloride; Histidine Monohydrochloride; L-histidine Hydrochloride

13. Nsc27422

14. D-histidine, Hydrochloride

15. (-)-histidine Monohydrochloride

16. 2-amino-3-(1h-imidazol-5-yl)propanoic Acid Hydrochloride

17. Dl-histidine, Monohydrochloride

18. Nsc-46706

19. Histidine Monohydrochloride, L-(+)-

20. Nsc-257867

21. Dl-histidinemonohydrochloride

22. D-histidinehcl

23. Histidine,(l)

24. (--)-histidinmonohydrochlorid

25. Schembl139654

26. Dtxsid401014452

27. Nsc46706

28. Mfcd00064555

29. Nsc-27422

30. Nsc206275

31. Nsc257867

32. Akos015847815

33. Akos016367771

34. Fd21742

35. Nsc-206275

36. As-49192

37. Dl-histidine Monohcl (h-dl-his-oh.hcl)

38. Db-054686

39. Db-054695

40. Cs-0368312

41. Ft-0627841

42. Ft-0636156

43. Ft-0689540

44. En300-74227

45. A834822

46. Benzo[d]isoxazol-3-yl-methanesulfonylchloride

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀ClN₃O₂
Molecular Weight	191.61 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	191.0461543 g/mol
Monoisotopic Mass	191.0461543 g/mol
Topological Polar Surface Area	92 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2