CAS 707-36-8

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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

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 Formula	C₁₂H₁₉Cl
Molecular Weight	198.73 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	198.1175283 g/mol
Monoisotopic Mass	198.1175283 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	240
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1