CAS 38585-62-5

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Also known as: 38585-62-5, 4-methyl-5-imidazolemethanol hydrochloride, 4-hydroxymethyl-5-methylimidazole hydrochloride, (5-methyl-1h-imidazol-4-yl)methanol hydrochloride, 4-methylimidazol-5-ylmethanolhydrochloride, 4-methyl-5-imidazolemethanol hcl

Molecular Formula

C₅H₉ClN₂O

Molecular Weight

148.59 g/mol

InChI Key

UBHDUFNPQJWPRQ-UHFFFAOYSA-N

1 2D Structure

CAS 38585-62-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5-methyl-1H-imidazol-4-yl)methanol;hydrochloride

2.1.2 InChI

InChI=1S/C5H8N2O.ClH/c1-4-5(2-8)7-3-6-4;/h3,8H,2H2,1H3,(H,6,7);1H

2.1.3 InChI Key

UBHDUFNPQJWPRQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(N=CN1)CO.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 38585-62-5

2. 4-methyl-5-imidazolemethanol Hydrochloride

3. 4-hydroxymethyl-5-methylimidazole Hydrochloride

4. (5-methyl-1h-imidazol-4-yl)methanol Hydrochloride

5. 4-methylimidazol-5-ylmethanolhydrochloride

6. 4-methyl-5-imidazolemethanol Hcl

7. 4-methyl-5-hydroxymethylimidazole Hydrochloride

8. (5-methyl-1h-imidazol-4-yl)methanol;hydrochloride

9. 4-methyl-5-hydroxymethylimidazole, Hcl

10. 1h-imidazole-4-methanol, 5-methyl-, Monohydrochloride

11. 5-methyl-4-hydroxymethylimidazole Hydrochloride

12. Mfcd00040986

13. 4-methyl-(5-hydroxymethyl)imidazole Hydrochloride

14. 5-hydroxymethyl-4-methylimidazole Hydrochloride

15. 1h-imidazole-5-methanol, 4-methyl-, Hydrochloride (1:3)

16. 91323-13-6

17. 4-(hydroxymethyl)-5-methylimidazole Hydrochloride

18. Einecs 254-021-7

19. 5-hydroxymethyl-4-methylimidazole Hcl

20. 5-methyl-4-hydroxymethyl Imidazole Hcl

21. Schembl917

22. 4-methyl-5-hydroxymethyl-imidazole Hydrochloride

23. Dtxsid40191906

24. 4-methyl-5-imidazolemethanol, Hcl

25. Act08028

26. Ck2461

27. Akos005216608

28. Akos015915543

29. Ac-7530

30. Ps-8932

31. 4-methyl-5-imidazolemethanol Hydrochlirde

32. Sy007668

33. A6526

34. Am20100024

35. Cs-0005784

36. Ft-0618718

37. H0625

38. En300-24274

39. 4-methyl-5-imidazolemethanol Hydrochloride, 97%

40. (4-methyl-1h-imidazol-5-yl)methanolhydrochloride

41. W-106477

42. Z210803814

43. (5-methyl-3h-imidazol-4-yl)-methanol; Hydrochloride;4-methyl-5-imidazolemethanol Hydrochloride

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₅H₉ClN₂O
Molecular Weight	148.59 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	148.0403406 g/mol
Monoisotopic Mass	148.0403406 g/mol
Topological Polar Surface Area	48.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	76.8
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	2