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2D Structure
Also known as: 114086-15-6, 125224-64-8, 2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide, (1s,4s)-2-methyl-2,5-diazabicyclo [2.2.1]heptane dihydrobromide, (1r,4r)-5-methyl-2,5-diazabicyclo-[2.2.1]heptane dihydrobromide, (1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide
Molecular Formula
C6H14Br2N2
Molecular Weight
274.00  g/mol
InChI Key
WLUAJCSMROZCDP-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide
2.1.2 InChI
InChI=1S/C6H12N2.2BrH/c1-8-4-5-2-6(8)3-7-5;;/h5-7H,2-4H2,1H3;2*1H
2.1.3 InChI Key
WLUAJCSMROZCDP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CC2CC1CN2.Br.Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 114086-15-6

2. 125224-64-8

3. 2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide

4. (1s,4s)-2-methyl-2,5-diazabicyclo [2.2.1]heptane Dihydrobromide

5. (1r,4r)-5-methyl-2,5-diazabicyclo-[2.2.1]heptane Dihydrobromide

6. (1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptane Dihydrobromide

7. Mfcd01863510

8. (1r)-2-methyl-2,5-diazabicyclo[2.2.1]heptane 2hbr

9. Schembl14881274

10. Mfcd28134575

11. Akos000282636

12. Akos016023892

13. Akos024462930

14. Ds-7922

15. Pb15700

16. Pb31717

17. Sb19866

18. Sy021730

19. Cs-0067198

20. Ft-0660676

21. Ft-0697477

22. 2-methyl-2,5-diazabicyclo[2.2.1]heptane Dihbr

23. A894274

24. 2-methyl-2,5-diazabicyclo[2.2.1]heptane 2hbr

25. 2-methyl-2,5-diazabicyclo[2.2.1]heptanedihydrobromide

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 274.00 g/mol
Molecular Formula C6H14Br2N2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass273.95032 g/mol
Monoisotopic Mass271.95237 g/mol
Topological Polar Surface Area15.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3