CAS 1075-89-4

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4 End Use APIs
8 Related Intermediates

Chemistry

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Also known as: 3,3-tetramethyleneglutarimide, 1075-89-4, 1,1-cyclopentanediacetimide, 8-azaspiro(4.5)decane-7,9-dione, Vvj9w0k7w1, 3-spirocyclopentaneglutarimide

Molecular Formula

C₉H₁₃NO₂

Molecular Weight

167.20 g/mol

InChI Key

YRTHJMQKDCXPAY-UHFFFAOYSA-N

FDA UNII

VVJ9W0K7W1

1 2D Structure

CAS 1075-89-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

8-azaspiro[4.5]decane-7,9-dione

2.1.2 InChI

InChI=1S/C9H13NO2/c11-7-5-9(3-1-2-4-9)6-8(12)10-7/h1-6H2,(H,10,11,12)

2.1.3 InChI Key

YRTHJMQKDCXPAY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC2(C1)CC(=O)NC(=O)C2

2.2 Other Identifiers

2.2.1 UNII

VVJ9W0K7W1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3,3-tetramethyleneglutarimide

2.3.2 Depositor-Supplied Synonyms

1. 3,3-tetramethyleneglutarimide

2. 1075-89-4

3. 1,1-cyclopentanediacetimide

4. 8-azaspiro(4.5)decane-7,9-dione

5. Vvj9w0k7w1

6. 3-spirocyclopentaneglutarimide

7. 4,4-tetramethyleneglutarimide

8. 8-azaspiro[4,5]decane-7,9-dione

9. Mfcd00023871

10. Nsc-400092

11. Azaspirodecanedione

12. Nsc400092

13. 8-aza-spiro[4.5]decane-7,9-dione

14. Busperidone Impurity K

15. Buspirone Ep Impurity K

16. Unii-vvj9w0k7w1

17. Ec 427-770-4

18. Dsstox_cid_31405

19. Dsstox_rid_97291

20. Buspirone Related Compound K

21. Dsstox_gsid_57616

22. Schembl529832

23. 3,3-tetramethyl Eneglutarimide

24. 3,3-tetramethylene Glutarimide

25. Chembl3560272

26. Dtxsid1057616

27. Amy3774

28. Azaspiro[4.5]decane-7,9-dione

29. Str09408

30. Zinc4031903

31. Tox21_113849

32. 8-azaspiro [4,5]-decane7,9-dione

33. Akos000639181

34. Nsc 400092

35. Sb42921

36. 8-azaspiro[4.5]decane-7,9-dione #

37. Ncgc00253730-01

38. .beta.-spirocyclopentaneglutarimide

39. Ac-28907

40. Bp-12572

41. Sy049426

42. Cas-1075-89-4

43. Cs-0077659

44. Ft-0600260

45. T1412

46. Buspirone Related Compound K [usp-rs]

47. F12721

48. A895414

49. Sr-01000944905

50. Buspirone Related Compound K [usp Impurity]

51. Q4832288

52. Sr-01000944905-1

53. Buspirone Hydrochloride Impurity K [ep Impurity]

54. F0044-0024

55. Z108563950

56. 8-azaspiro[4.5]decane-7,9-dione; 4,4-tetramethyleneglutarimide; 1,1-cyclopentanediacetimide; 3-spirocyclopentaneglutarimide

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₃NO₂
Molecular Weight	167.20 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	167.094628657 g/mol
Monoisotopic Mass	167.094628657 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	211
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