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Also known as: 707-36-8, 5-chloro-1,3-dimethyladamantane, 1,3-dimethyl-5-chloroadamantane, 1-chloro-3,5-dimethyl-adamantane, Q8e5db8wpy, Mfcd00074841
Molecular Formula
C12H19Cl
Molecular Weight
198.73  g/mol
InChI Key
PXDRFQZLDWZHPX-UHFFFAOYSA-N
FDA UNII
Q8E5DB8WPY

CAS 707-36-8
1 2D Structure

CAS 707-36-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-chloro-3,5-dimethyladamantane
2.1.2 InChI
InChI=1S/C12H19Cl/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3
2.1.3 InChI Key
PXDRFQZLDWZHPX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC12CC3CC(C1)(CC(C3)(C2)Cl)C
2.2 Other Identifiers
2.2.1 UNII
Q8E5DB8WPY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 707-36-8

2. 5-chloro-1,3-dimethyladamantane

3. 1,3-dimethyl-5-chloroadamantane

4. 1-chloro-3,5-dimethyl-adamantane

5. Q8e5db8wpy

6. Mfcd00074841

7. Tricyclo[3.3.1.13,7]decane, 1-chloro-3,5-dimethyl-

8. Chlorodimethyladamantane

9. Unii-q8e5db8wpy

10. Ec 615-149-2

11. Schembl810646

12. 1-chloro-3,5-dimethyltricyclo[3.3.1.13,7]decane

13. 3,5-dimethyl-1-chloroadamantane

14. Dtxsid70390748

15. 5-chloro-1,3-dimethyl Adamantane

16. 1-chloranyl-3,5-dimethyl-adamantane

17. Stl452977

18. Akos015850596

19. Cs-w010523

20. As-60554

21. Sy053163

22. Db-019122

23. Adamantane, 1-chloro-3,5-dimethyl-

24. C1981

25. Ft-0620206

26. Memantine Related Compound C [usp-rs]

27. D78261

28. A836976

29. Memantine Related Compound C [usp Impurity]

30. 1-chloro-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane

31. Tricyclo(3.3.1.1(sup 3,7))decane, 1-chloro-3,5-dimethyl-

2.4 Create Date
2005-09-06
3 Chemical and Physical Properties
Molecular Weight 198.73 g/mol
Molecular Formula C12H19Cl
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass198.1175283 g/mol
Monoisotopic Mass198.1175283 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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