CAS 76272-56-5

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Also known as: 76272-56-5, Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane, 141650-55-7, 76272-41-8, Exo-3-amino-9-methyl-9-azabicyclo[3,3,1]nonane, 9-azabicyclo[3.3.1]nonan-3-amine, 9-methyl-

Molecular Formula

C₉H₁₈N₂

Molecular Weight

154.25 g/mol

InChI Key

HTZWHTQVHWHSHN-UHFFFAOYSA-N

1 2D Structure

CAS 76272-56-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

2.1.2 InChI

InChI=1S/C9H18N2/c1-11-8-3-2-4-9(11)6-7(10)5-8/h7-9H,2-6,10H2,1H3

2.1.3 InChI Key

HTZWHTQVHWHSHN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C2CCCC1CC(C2)N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 9-methyl-9-azabicyclo(3.3.1)nonan-3-amine

2. Granatamine

2.2.2 Depositor-Supplied Synonyms

1. 76272-56-5

2. Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane

3. 141650-55-7

4. 76272-41-8

5. Exo-3-amino-9-methyl-9-azabicyclo[3,3,1]nonane

6. 9-azabicyclo[3.3.1]nonan-3-amine, 9-methyl-

7. Exo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

8. Endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

9. Mfcd12198832

10. Exo-3-amino-9-methyl-9-azabicyclo[3.3.1]nonane

11. Mfcd07374273

12. Endo-3-amino-9-methyl-9-azabicyclo[3,3,1]nonane

13. Schembl703572

14. Schembl5827482

15. Amy20515

16. Granisetron Impurity E (free Base)

17. Akos012006914

18. Ac-1975

19. Cs-w003398

20. Pb23491

21. Pb34711

22. Ds-12906

23. Sy002114

24. Sy005092

25. Db-063395

26. Cs-0368347

27. Ft-0641588

28. Ft-0744306

29. En300-91955

30. 3-amino-9-methyl-9-azabicyclo[3.3.1]nonane

31. 9-azabicyclo[3.3.1]nonan-3-amine,9-methyl-

32. 3 -amino-9-methyl-9azabicyclo-[3.3.1]-nonane

33. 3-amino-9-methyl-9-azabicyclo-[3.3.1]-nonane

34. (1s,5r)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

35. Z1505387459

36. Beta-3-amino-9-methyl-9-azabicyclo[3.3.1]nonane

37. Endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine ( Granisetron Impurity E)

38. Endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (granisetron Impurity E)

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₈N₂
Molecular Weight	154.25 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	154.146998583 g/mol
Monoisotopic Mass	154.146998583 g/mol
Topological Polar Surface Area	29.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	133
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