CAS 41838-46-4

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Chemistry

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Also known as: 1-methylpiperidin-4-amine, 41838-46-4, 4-amino-1-methyl-piperidine, 4-amino-n-methylpiperidine, 1-methylpiperidine-4-amine, 1-methyl-piperidin-4-ylamine

Molecular Formula

C₆H₁₄N₂

Molecular Weight

114.19 g/mol

InChI Key

ALOCUZOKRULSAA-UHFFFAOYSA-N

1 2D Structure

CAS 41838-46-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-methylpiperidin-4-amine

2.1.2 InChI

InChI=1S/C6H14N2/c1-8-4-2-6(7)3-5-8/h6H,2-5,7H2,1H3

2.1.3 InChI Key

ALOCUZOKRULSAA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCC(CC1)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1-methylpiperidin-4-amine

2. 41838-46-4

3. 4-amino-1-methyl-piperidine

4. 4-amino-n-methylpiperidine

5. 1-methylpiperidine-4-amine

6. 1-methyl-piperidin-4-ylamine

7. Mfcd01570549

8. 1-methyl-4-amino-piperidine

9. 1-methyl-4-piperidinamine

10. Methylpiperidin-4-amine

11. 1-methyl 4-piperidylamine

12. 4-amino-1-methylpiperdine

13. 4-amino N-methylpiperidine

14. 1-methyl-4-aminopiperidine

15. 4-amino 1-methylpiperidine

16. 1-methylpiperidin-4-ylamine

17. 4-amino-n-methyl-piperidine

18. N-methyl-4-amino-piperidine

19. 1-methyl-4-amino Piperidine

20. 4-amino-1-methyl Piperidine

21. Schembl56445

22. 1-methyl-piperidin-4-yl Amine

23. 4-amino 1-n-methyl Piperidine

24. Schembl7300513

25. Dtxsid80372116

26. Trans-4-amino-1-methylpiperidine

27. Hms1788l05

28. Act02044

29. Albb-000072

30. Bcp05286

31. Zinc1529080

32. 4-piperidinamine, 1-methyl-

33. Stk349280

34. Akos000122870

35. 1-methyl-4-piperidinamine, Aldrichcpr

36. Ac-7577

37. Cs-w016605

38. Lf-0517

39. Pb32253

40. Bp-10132

41. Db-006616

42. Am20100109

43. Bb 0237260

44. Ft-0601092

45. En300-12909

46. 838a464

47. J-515773

48. W-202719

49. F0001-1170

2.2.2 Other Synonyms

1. Cas 41838-46-4

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₄N₂
Molecular Weight	114.19 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	114.115698455 g/mol
Monoisotopic Mass	114.115698455 g/mol
Topological Polar Surface Area	29.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	64.9
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