1,3-Dimethyladamantane

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3 End Use APIs
11 Related Intermediates

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1 Intermediates

1 Intermediates

1,3-Dimethyladamantane

Chemistry

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Also known as: 702-79-4, 1-3-dimethyladamantane, Adamantane, 1,3-dimethyl-, 1,3-dimethyl adamantane, 1,3-dimethyltricyclo[3.3.1.13,7]decane, 96g4od5z59

Molecular Formula

C₁₂H₂₀

Molecular Weight

164.29 g/mol

InChI Key

CWNOIUTVJRWADX-UHFFFAOYSA-N

FDA UNII

96G4OD5Z59

1 2D Structure

1,3-Dimethyladamantane

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-dimethyladamantane

2.1.2 InChI

InChI=1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3

2.1.3 InChI Key

CWNOIUTVJRWADX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC12CC3CC(C1)CC(C3)(C2)C

2.2 Other Identifiers

2.2.1 UNII

96G4OD5Z59

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 702-79-4

2. 1-3-dimethyladamantane

3. Adamantane, 1,3-dimethyl-

4. 1,3-dimethyl Adamantane

5. 1,3-dimethyltricyclo[3.3.1.13,7]decane

6. 96g4od5z59

7. 1,3-dimethyltricyclo(3.3.1.13,7)decane

8. 1,3-dimethyltricyclo[3.3.1.1(3,7)]decane

9. Tricyclo[3.3.1.1(3,7)]decane, 1,3-dimethyl-

10. Unii-96g4od5z59

11. Einecs 211-870-8

12. Mfcd00074755

13. Memantine Intermediate

14. 1,3-dimethyladamanta

15. 1,5-dimethyladamantane

16. 1 ,3-dimethyl Adamantane

17. Memantine Related Compound A

18. Dtxsid1049439

19. Chebi:47900

20. 1,3-dimethyladamantane, >=99%

21. Act10899

22. Bcp17452

23. Bbl100109

24. Stl452978

25. Zinc54962211

26. Akos015900608

27. Akos025211682

28. Adamantane,1,3-dimethyl- (6ci,8ci)

29. Ac-14485

30. Ls-14122

31. Ms-20570

32. Db-005636

33. Cs-0152705

34. D1081

35. Ft-0606694

36. Ft-0667257

37. Memantine Related Compound A [usp-rs]

38. 1,3-dimethyltricyclo[3.3.1.1~3,7~]decane

39. Tricyclo[3.3.1.13,7]decane,1,3-dimethyl-

40. 2-(phenylmethoxy)-propanoicacidethylester

41. 222130a

42. 702d794

43. A836824

44. Memantine Related Compound A [usp Impurity]

45. Tricyclo[3.3.1.1<3,7>]decane, 1,3-dimethyl-

46. W-104561

47. Q27120846

48. Memantine Related Compound A, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₀
Molecular Weight	164.29 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	164.156500638 g/mol
Monoisotopic Mass	164.156500638 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	182
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