CAS 114086-15-6

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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

CAS 114086-15-6

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 Formula	C₆H₁₄Br₂N₂
Molecular Weight	274.00 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	273.95032 g/mol
Monoisotopic Mass	271.95237 g/mol
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	103
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	3