CAS 100939-96-6

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Also known as: 100939-96-6, 1-(2-methoxylphenyl)-piperazine monohydrobromide, 1-(2-methoxylphenyl)piperazine hydrobromide, 2-meopp hbr, Piperazine, 1-(2-methoxyphenyl)-, monohydrobromide, N-(2-methoxyphenyl)piperazine hydrobromide

Molecular Formula

C₁₁H₁₇BrN₂O

Molecular Weight

273.17 g/mol

InChI Key

QPAHBXFXDDEKNB-UHFFFAOYSA-N

FDA UNII

2N1ZY78316

1 2D Structure

CAS 100939-96-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2-methoxyphenyl)piperazine;hydrobromide

2.1.2 InChI

InChI=1S/C11H16N2O.BrH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H

2.1.3 InChI Key

QPAHBXFXDDEKNB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=CC=C1N2CCNCC2.Br

2.2 Other Identifiers

2.2.1 UNII

2N1ZY78316

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 100939-96-6

2. 1-(2-methoxylphenyl)-piperazine Monohydrobromide

3. 1-(2-methoxylphenyl)piperazine Hydrobromide

4. 2-meopp Hbr

5. Piperazine, 1-(2-methoxyphenyl)-, Monohydrobromide

6. N-(2-methoxyphenyl)piperazine Hydrobromide

7. 1-(2-methoxylphenyl)-piperazine Hydrobromide

8. 1-(2-methoxyphenyl)piperazine;hydrobromide

9. Piperazine, 1-o-anisyl-, -hbr

10. 2n1zy78316

11. Piperazine, 1-(2-methoxyphenyl)-, Hydrobromide (1:1)

12. 10093-96-6

13. 1-(2-methoxyphenyl-piperazine) Monohydrobromide

14. Unii-2n1zy78316

15. Dtxsid40641012

16. 1-(2-methoxyphenyl)piperazine Hbr

17. Amy32503

18. Bcp11123

19. Mfcd00450303

20. Akos007930144

21. Ac-26438

22. As-10762

23. Db-018449

24. Cs-0329905

25. Ft-0602258

26. 1-(2-methoxyphenyl-piperazine)monohydrobromide

27. E79160

28. 939m966

29. A800302

30. J-000281

31. Q27255037

32. 1-(2-methoxyphenyl)piperazine--hydrogen Bromide (1/1)

33. 1-(2-methoxyphenyl)piperazine Hydrobromide;1-(2-methoxylphenyl)-piperazine Monohydrobromide

2.4 Create Date

2008-02-29

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₇BrN₂O
Molecular Weight	273.17 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	272.05243 g/mol
Monoisotopic Mass	272.05243 g/mol
Topological Polar Surface Area	24.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2