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Also known as: 29636-87-1, (5-methyl-1h-imidazol-4-yl)methanol, 4-hydroxymethyl-5-methylimidazole, (4-methyl-1h-imidazol-5-yl)methanol, 5-methyl-1h-imidazole-4-methanol, 4-(hydroxymethyl)-5-methylimidazole
Molecular Formula
C5H8N2O
Molecular Weight
112.13  g/mol
InChI Key
AXJZCJSXNZZMDU-UHFFFAOYSA-N

CAS 29636-87-1
1 2D Structure

CAS 29636-87-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5-methyl-1H-imidazol-4-yl)methanol
2.1.2 InChI
InChI=1S/C5H8N2O/c1-4-5(2-8)7-3-6-4/h3,8H,2H2,1H3,(H,6,7)
2.1.3 InChI Key
AXJZCJSXNZZMDU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(N=CN1)CO
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 4-hydroxymethyl-5-methyl-1h-imidazole

2.2.2 Depositor-Supplied Synonyms

1. 29636-87-1

2. (5-methyl-1h-imidazol-4-yl)methanol

3. 4-hydroxymethyl-5-methylimidazole

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

5. 5-methyl-1h-imidazole-4-methanol

6. 4-(hydroxymethyl)-5-methylimidazole

7. 4-methyl-5-hydroxymethylimidazole

8. Imidazole-4-methanol, 5-methyl-

9. 1h-imidazole-5-methanol, 4-methyl-

10. Mfcd00792476

11. 4-(hydroxymethyl)-5-methylimidazole Hydrochloride

12. Einecs 249-740-8

13. Ec 249-740-8

14. 4-methylimidazole-5-methanol

15. Imidazole C-4,5 Deriv. 1

16. Schembl711376

17. Bdbm7956

18. Dtxsid9067487

19. 4-methyl-1h-imidazole-5-methanol

20. 5-hydroxymethyl-4-methyl-imidazole

21. Albb-029813

22. Zinc6645459

23. 1h-imidazole-5-methanol,4-methyl-

24. 4-methyl-5-imidazolemethanol

25. Bbl013124

26. Stk352932

27. Akos005168339

28. Akos015955290

29. Imidazole, 4-methyl-5-hydroxymethyl-

30. 4-hydroxymethyl-5-methyl-1h-imidazole

31. (4-methyl-1h-imidazol-5-yl)methanol #

32. 4-(hydroxymethyl)-5-methyl-1h-imidazole

33. Am803651

34. As-61798

35. Sy017269

36. Db-047617

37. Cs-0031392

38. Ft-0618717

39. H0976

40. En300-35548

41. W10531

42. Ab00983768-01

43. (5-methyl-1h-imidazol-4-yl)methanol, Aldrichcpr

44. 4-(hydroxymethyl)-5-methylimidazole Hydrochloride;

45. 1h-imidazole-4-methanol, 5-methyl-, Hydrochloride

46. W-106982

47. F1905-6587

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 112.13 g/mol
Molecular Formula C5H8N2O
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass112.063662883 g/mol
Monoisotopic Mass112.063662883 g/mol
Topological Polar Surface Area48.9 Ų
Heavy Atom Count8
Formal Charge0
Complexity76.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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