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Overview of CAS 42036-65-7

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4CH-024458
PharmaCompass
4CH-024458
Also known as: 42036-65-7, 2-((dimethylamino)methyl)cyclohexanone hydrochloride, Nsc-12467, Nsc-620461, Ak110988, 2-dimethylaminomethyl-cyclohexanone
Molecular Formula
C9H18ClNO
Molecular Weight
191.699  g/mol
InChI Key
CLVHTSWMNNSUSH-UHFFFAOYSA-N

1 2D Structure

4CH-024458

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(dimethylamino)methyl]cyclohexan-1-one;hydrochloride
2.1.2 InChI
InChI=1S/C9H17NO.ClH/c1-10(2)7-8-5-3-4-6-9(8)11;/h8H,3-7H2,1-2H3;1H
2.1.3 InChI Key
CLVHTSWMNNSUSH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN(C)CC1CCCCC1=O.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 42036-65-7

2. 2-((dimethylamino)methyl)cyclohexanone Hydrochloride

3. Nsc-12467

4. Nsc-620461

5. Ak110988

6. 2-dimethylaminomethyl-cyclohexanone

7. 2-[(dimethylamino)methyl]cyclohexan-1-one, Chloride

8. Tramadol Related Compound B

9. 2-(dimethylaminomethyl)-1-cyclohexanone Hydrochloride, 98%

10. 2-[(dimethylamino)methyl]cyclohexanone Hydrochloride

11. 2-dimethylaminomethyl-cyclohexanone Hydrochloride

12. Tramadol Related Compound B [usp]

13. Dimethyl((2-oxocyclohexyl)methyl)ammonium Chloride

14. Nsc620461

15. Zlchem 956

16. Tramadol Related Compound B Rs [usp]

17. Tramadol Impurity E Hcl

18. Ac1l7eow

19. Ec 700-355-8

20. Mls001029693

21. Schembl3120247

22. Chembl1329354

23. Ctk6i0445

24. Zld0422

25. 2-((dimethylamino)methyl)cyclohexanone Hydrochloride, (2rs)-

26. Cyclohexanone, 2-((dimethylamino)methyl)-, Hydrochloride (1:1)

27. Ks-00000mh3

28. Nsc12467

29. Zx-at021530

30. 5793ab

31. Ccg-54700

32. Dt1673

33. Mfcd00102580

34. Or0994

35. Sbb052510

36. Akos016008719

37. 2-dimethylaminomethyl Cyclohexanone Hcl

38. Ds-5013

39. Sc-85018

40. Smr000427042

41. Ax8063130

42. 4ch-024458

43. Ft-0663395

44. St24039003

45. St50447148

46. 2-dimethylaminomethylcyclohexanone Hydrochloride

47. 036d657

48. C-57095

49. Sr-01000390594-2

50. 2-(dimethylaminomethyl)cyclohexan-1-one Hydrochloride

51. I14-94176

52. 2-[(dimethylamino)methyl]cyclohexan-1-one Hydrochloride

53. 2-[(dimethylamino)methyl]cyclohexan-1-one;hydrochloride

54. (2rs)-2-[(dimethylamino)methyl]cyclohexanone Hydrochloride

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 191.699 g/mol
Molecular Formula C9H18ClNO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass191.108 g/mol
Monoisotopic Mass191.108 g/mol
Topological Polar Surface Area20.3 A^2
Heavy Atom Count12
Formal Charge0
Complexity143
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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