CAS 55112-42-0

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Chemistry

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Also known as: 55112-42-0, 4-methylpiperazine-1-carbonyl chloride hydrochloride, 4-methyl-1-piperazinecarbonyl chloride hcl, 4-methylpiperazine-1-carbonyl chloride monohydrochloride, 1-piperazinecarbonyl chloride, 4-methyl-, monohydrochloride, 4-methylpiperazine-1-carbonyl chloride;hydrochloride

Molecular Formula

C₆H₁₂Cl₂N₂O

Molecular Weight

199.08 g/mol

InChI Key

WICNYNXYKZNNSN-UHFFFAOYSA-N

FDA UNII

7T2R5ALS8T

1 2D Structure

CAS 55112-42-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methylpiperazine-1-carbonyl chloride;hydrochloride

2.1.2 InChI

InChI=1S/C6H11ClN2O.ClH/c1-8-2-4-9(5-3-8)6(7)10;/h2-5H2,1H3;1H

2.1.3 InChI Key

WICNYNXYKZNNSN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)C(=O)Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

7T2R5ALS8T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 55112-42-0

2. 4-methylpiperazine-1-carbonyl Chloride Hydrochloride

3. 4-methyl-1-piperazinecarbonyl Chloride Hcl

4. 4-methylpiperazine-1-carbonyl Chloride Monohydrochloride

5. 1-piperazinecarbonyl Chloride, 4-methyl-, Monohydrochloride

6. 4-methylpiperazine-1-carbonyl Chloride;hydrochloride

7. N-methylpiperazin-4-carbamoyl Chloride Hydrochloride

8. 4-methyl-1-piperazinecarbonyl Chloride, Hcl

9. 1-chlorocarbonyl-4-methylpiperazine Hydrochloride

10. Einecs 259-482-8

11. 7t2r5als8t

12. 4-methyl-1-piperazinecarbonylchloridehydrochloride

13. Schembl321914

14. Dtxsid80203633

15. Wicnynxykznnsn-uhfffaoysa-n

16. Bcp16973

17. Geo-01914

18. Mfcd01074875

19. Akos015897706

20. Ac-24406

21. Ps-10936

22. Ft-0640293

23. Ft-0658732

24. F16753

25. 4-methylpiperazine Carbonylchloride Hydrochloride

26. En300-1265364

27. 1-chlorocarbonyl-4-methyl Piperazine Hydrochloride

28. 1-chlorocarbonyl-4-methyl-piperazine Hydrochloride

29. 4-chlorocarbonyl-1-methyl-piperazine Hydrochloride

30. A830496

31. N-chlorocarbonyl-n'-methylpiperazine Hydrochloride

32. 4-methyl-l-piperazinecarbonyl Chloride Hydrochloride

33. W-200427

34. 4-methyl-1-piperazine Carbonyl Chloride Hydrochloride

35. 4-methyl-l-piperazine Carbonyl Chloride Hydrochloride

36. 4-methyl-piperazine-1-carbonyl Chloride Hydrochloride

37. 4-methylpiperazin-1-ylcarbonyl Chloride Hydrochloride

38. N-methylpiperazine-4-carbamoyl Chloride Hydrochloride

39. F0001-1447

40. N-methylpiperazin-4-carbamoylchloridehydrochloride

41. 1-piperazinecarbonyl Chloride, 4-methyl-, Hydrochloride (1:1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₂Cl₂N₂O
Molecular Weight	199.08 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	23.6
Heavy Atom Count	11
Formal Charge	0
Complexity	132
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