CAS 702-82-9

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Chemistry

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Also known as: 3-aminoadamantan-1-ol, 702-82-9, 3-amino-1-hydroxyadamantane, 1-amino-3-adamantanol, (5r,7s)-3-aminoadamantan-1-ol, 3-amino-adamantanol

Molecular Formula

C₁₀H₁₇NO

Molecular Weight

167.25 g/mol

InChI Key

DWPIPTNBOVJYAD-UHFFFAOYSA-N

1 2D Structure

CAS 702-82-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-aminoadamantan-1-ol

2.1.2 InChI

InChI=1S/C10H17NO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6,11H2

2.1.3 InChI Key

DWPIPTNBOVJYAD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C2CC3(CC1CC(C2)(C3)O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 3-aminoadamantan-1-ol

2. 702-82-9

3. 3-amino-1-hydroxyadamantane

4. 1-amino-3-adamantanol

5. (5r,7s)-3-aminoadamantan-1-ol

6. 3-amino-adamantanol

7. 3-amino-1-adamantanol Hydrate

8. 1-aminoadamantane-3-ol

9. 3-hydroxy-1-aminoadamantane

10. 1-amino-3-hydroxyadamantane

11. Tricyclo[3.3.1.13,7]decan-1-ol, 3-amino-

12. Mfcd01821204

13. Cbdive_015882

14. 3-hydroxyadamantane Amine

15. Oprea1_650197

16. Schembl301876

17. Chembl1624488

18. Dtxsid00349729

19. Albb-014973

20. Stk387549

21. Akos000283819

22. Akos016344511

23. Cs-w016045

24. Pb47584

25. Ps-6215

26. Sdccgmls-0042673.p002

27. Sy003569

28. Db-014233

29. 3-aminotricyclo[3.3.1.13,7]decan-1-ol

30. Am20070529

31. Bb 0261502

32. Ft-0652890

33. 3-aminotricyclo[3.3.1.1~3,7~]decan-1-ol

34. 3-hydroxytricyclo[3.3.1.13,7 ]decan-1-amine

35. Ab00073968-01

36. 3-hydroxytricyclo[3.3.1.13,7 ]decan- 1-amine

37. A836825

38. 3-amino-1-adamantanol; 3-amino-1-hydroxyadamantane

39. Z1741981630

40. Tricyclo[3.3.1.1~3,7~]decan-1-ol, 3-amino-, Hydrochloride

41. N-benzyl-2-(6-morpholin-4-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide

2.3 Create Date

2005-06-29

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₇NO
Molecular Weight	167.25 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	167.131014166 g/mol
Monoisotopic Mass	167.131014166 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	212
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