CAS 281-23-2

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CHEMISTRY

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BUILDING BLOCK

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Chemistry

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Also known as: 281-23-2, Tricyclo[3.3.1.13,7]decane, Adamantan, Tricyclo[3.3.1.1(3,7)]decane, Einecs 206-001-4, Tricyclo[3.3.1.1~3,7~]decane

Molecular Formula

C₁₀H₁₆

Molecular Weight

136.23 g/mol

InChI Key

ORILYTVJVMAKLC-UHFFFAOYSA-N

FDA UNII

PJY633525U

A tricyclo bridged hydrocarbon.

1 2D Structure

CAS 281-23-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

adamantane

2.1.2 InChI

InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2

2.1.3 InChI Key

ORILYTVJVMAKLC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C2CC3CC1CC(C2)C3

2.2 Other Identifiers

2.2.1 UNII

PJY633525U

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Diamantane

2.3.2 Depositor-Supplied Synonyms

1. 281-23-2

2. Tricyclo[3.3.1.13,7]decane

3. Adamantan

4. Tricyclo[3.3.1.1(3,7)]decane

5. Einecs 206-001-4

6. Tricyclo[3.3.1.1~3,7~]decane

7. Nsc 527913

8. Unii-pjy633525u

9. Chebi:40519

10. Tricyclo(3.3.1.13,7)decane

11. Pjy633525u

12. Nsc-527913

13. A 0696; Nsc 527913

14. Ec 206-001-4

15. Tricyclo[3.3.1.1]decane

16. Adamantine

17. Mfcd00074719

18. Adamantane; >99%

19. Diamantane (obsolete)

20. Adamantane, >=99%

21. Adamantane [mi]

22. Amy793

23. Chembl1230831

24. Dtxsid5022017

25. Hy-n2427

26. Adamantane (purified By Sublimation)

27. C12cc3cc(c1)cc(c2)c3

28. Nsc527913

29. Tricyclo[3.3.1.1<3,7>]decane

30. Adamantane Tricyclo[3.3.1.1]decane

31. Akos000119960

32. Akos004908007

33. Tricyclo(3.3.1.1(3,7)-)decane

34. Db03627

35. Ds-4960

36. Tricyclo(3,3,1,1,<3,7>)-decane

37. As-12242

38. Ls-157064

39. A0696

40. A3233

41. Cs-0022641

42. Ft-0621893

43. S2869

44. En300-19684

45. D88553

46. A819332

47. Q351461

48. W-107075

49. F0001-0891

50. Z104474730

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₆
Molecular Weight	136.23 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	0
Heavy Atom Count	10
Formal Charge	0
Complexity	75.1
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