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2D Structure
Also known as: 54745-74-3, 8-oxa-3-azabicyclo[3,2,1]octane hydrochloride, 8-oxa-3-azabicyclo[3.2.1]octane hcl, 8-oxa-3-aza-bicyclo[3.2.1]octane hydrochloride, 8-oxa-3-azabicyclo[3.2.1]octane;hydrochloride, 8-oxa-3-azabicyclo[3.2.1]octane, hydrochloride
Molecular Formula
C6H12ClNO
Molecular Weight
149.62  g/mol
InChI Key
XADOTNAXKKFKDY-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
8-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
2.1.2 InChI
InChI=1S/C6H11NO.ClH/c1-2-6-4-7-3-5(1)8-6;/h5-7H,1-4H2;1H
2.1.3 InChI Key
XADOTNAXKKFKDY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2CNCC1O2.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 54745-74-3

2. 8-oxa-3-azabicyclo[3,2,1]octane Hydrochloride

3. 8-oxa-3-azabicyclo[3.2.1]octane Hcl

4. 8-oxa-3-aza-bicyclo[3.2.1]octane Hydrochloride

5. 8-oxa-3-azabicyclo[3.2.1]octane;hydrochloride

6. 8-oxa-3-azabicyclo[3.2.1]octane, Hydrochloride

7. Mfcd17926456

8. 8-oxa-3-azabicyclo[3.2.1]octane, Hcl

9. 8-oxa-3-azabicyclo(3.2.1)octane Hydrochloride

10. Schembl16513

11. 8-oxa-3-azabicyclo Octane Hcl

12. Dtxsid90621162

13. Xadotnaxkkfkdy-uhfffaoysa-n

14. Bcp34574

15. Akos005166896

16. Cs-w005626

17. Gs-4257

18. Sy039502

19. 8-oxa-3-azabicyclo[3.2.1]octane Hcl Salt

20. Am20100352

21. Ft-0659449

22. En300-316696

23. 8-oxa-3-azabicyclo(3.2.1) Octane Hydrochloride

24. A830355

25. 8-oxa-3-azabicyclo[3.2.1]octane Monohydrochloride

26. A1-51517

27. J-519471

28. 8-oxa-3-azabicyclo[3.2.1]octane--hydrogen Chloride (1/1)

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 149.62 g/mol
Molecular Formula C6H12ClNO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area21.3
Heavy Atom Count9
Formal Charge0
Complexity84.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2