CAS 6269-89-2

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Chemistry

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Also known as: 6269-89-2, 1-(4-nitro-phenyl)-piperazine, Piperazine, 1-(4-nitrophenyl)-, Mfcd00005961, 1-(4-nitrophenyl)-piperazine, N-(4-nitrophenyl)piperazine

Molecular Formula

C₁₀H₁₃N₃O₂

Molecular Weight

207.23 g/mol

InChI Key

VWOJSRICSKDKAW-UHFFFAOYSA-N

1 2D Structure

CAS 6269-89-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-nitrophenyl)piperazine

2.1.2 InChI

InChI=1S/C10H13N3O2/c14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11H,5-8H2

2.1.3 InChI Key

VWOJSRICSKDKAW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1)C2=CC=C(C=C2)[N+](=O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6269-89-2

2. 1-(4-nitro-phenyl)-piperazine

3. Piperazine, 1-(4-nitrophenyl)-

4. Mfcd00005961

5. 1-(4-nitrophenyl)-piperazine

6. N-(4-nitrophenyl)piperazine

7. N-(4-nitrophenyl)-piperazine

8. Chembl165012

9. Nsc33874

10. Einecs 228-443-7

11. 4-nitrophenylpiperazine

12. Starbld0013746

13. 4-nitro Phenylpiperazine

14. 4-nitrophenyl Piperazine

15. N-p-nitrophenylpiperazine

16. 1-(4nitrophenyl)piperazine

17. N-4-nitro-phenyl Piperazine

18. 4-(4-nitrophenyl)piperazine

19. Oprea1_305105

20. Schembl336262

21. 1-(4-nitro Phenyl)piperazine

22. 1-(4-nitrophenyl) Piperazine

23. Amot0052

24. 4-(piperazin-1-yl)-nitrobenzene

25. Dtxsid40978310

26. 1-nitro-4-(1-piperazinyl)benzene

27. 4-nitro-1-(1-piperazinyl)benzene

28. Act09004

29. Zinc3860568

30. 1-(4-nitrophenyl)piperazine, 97%

31. Bdbm50001908

32. Nsc 33874

33. Nsc-33874

34. Stk060571

35. Akos000120835

36. Cs-w015268

37. Ps-5829

38. Ac-28094

39. Sy014764

40. Db-018619

41. A8666

42. Am20060699

43. Bb 0245817

44. Ft-0602617

45. N0694

46. F14874

47. Sr-01000397548

48. Sr-01000397548-1

49. W-109010

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₃N₃O₂
Molecular Weight	207.23 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	207.100776666 g/mol
Monoisotopic Mass	207.100776666 g/mol
Topological Polar Surface Area	61.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	215
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	1