CAS 29636-87-1

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2 End Use APIs
1 Related Intermediates

Chemistry

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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

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 Formula	C₅H₈N₂O
Molecular Weight	112.13 g/mol
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	112.063662883 g/mol
Monoisotopic Mass	112.063662883 g/mol
Topological Polar Surface Area	48.9 Å²
Heavy Atom Count	8
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	1