CAS 80828-13-3

Chemistry, 1 End Use API, 2 Related Intermediates

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Also known as: 82717-40-6, 80828-13-3, Octahydro-indole-2-carboxylic acid, L-octahydroindole-2-carboxylic acid, 2,3,3a,4,5,6,7,7a-octahydro-1h-indole-2-carboxylic acid, Octahydroindole-2-carboxylic acid

Molecular Formula

C₉H₁₅NO₂

Molecular Weight

169.22 g/mol

InChI Key

CQYBNXGHMBNGCG-UHFFFAOYSA-N

1 2D Structure

CAS 80828-13-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid

2.1.2 InChI

InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)

2.1.3 InChI Key

CQYBNXGHMBNGCG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC2C(C1)CC(N2)C(=O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Octahydroindole-2-carboxylic Acid

2.2.2 Depositor-Supplied Synonyms

1. 82717-40-6

2. 80828-13-3

3. Octahydro-indole-2-carboxylic Acid

4. L-octahydroindole-2-carboxylic Acid

5. 2,3,3a,4,5,6,7,7a-octahydro-1h-indole-2-carboxylic Acid

6. Octahydroindole-2-carboxylic Acid

7. 1h-indole-2-carboxylicacid,octahydro-(9ci)

8. (2r,3ar,7ar)-rel-octahydroindole-2-carboxylic Acid

9. (2r)-octahydro-indole-2-carboxylic Acid

10. 108507-42-2

11. 1h-indole-2-carboxylic Acid, Octahydro-, (2r,3ar,7ar)-rel-

12. D-octahydroindole-2-carboxylic Acid

13. Mfcd07782125

14. 4-acetlimidazole

15. Schembl44497

16. 2-perhydroindolecarboxylic Acid

17. Cs-waa0106

18. (2r,3as,7ar)-2,3,3a,4,5,6,7,7a-octahydro-1h-indole-2-carboxylic Acid

19. Perhydroindole-2-carboxylic Acid

20. L-octahydroindole-2-carboxylicacid

21. Amy31591

22. Mfcd00171406

23. Stl301689

24. Akos000121044

25. Akos016042479

26. Ab42766

27. Ac-1242

28. Ccg-353297

29. Ds-0910

30. Fs-3070

31. Sb33687

32. Sb38898

33. Sb45003

34. Sb45074

35. Sb45365

36. Sb45705

37. Sb47770

38. Sy021277

39. Db-017948

40. Db-056464

41. A9970

42. Cs-0035056

43. Ft-0602575

44. Ft-0641788

45. Ft-0647480

46. Octahydro-1h-indole-2-carboxylic Acid Hcl

47. En300-54024

48. A839984

49. A856010

50. A864362

51. Rel-(2s, 3ar,7ar)-octahydro-indole-2-carboxylic Acid

52. Z234893909

53. 1-piperazinecarboxylicacid, 3-oxo-, 1,1-dimethylethyl Ester

54. H-oic-oh;(2s,3as,7as)-1-octahydro-1h-indole-2-carboxylic Acid

2.3 Create Date

2005-09-06

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₅NO₂
Molecular Weight	169.22 g/mol
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	169.110278721 g/mol
Monoisotopic Mass	169.110278721 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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(2S,3aR,7aS)-Octahydro-1H-indole-2-Carboxylic Acid Benz...

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CAS Number

145641-35-6

End Use API

Trandolapril

About the Company

Founded in 1986, Kekule has developed from a manufacturer of few molecules to a preferred vendor for many...

Founded in 1986, Kekule has developed from a manufacturer of few molecules to a preferred vendor for many complex molecules requiring multistage synthesis. Working with customers across the world, Kekule has always leveraged its strengths in basic chemistry as well as chemical engineering to deliver high quality APIs and Intermediates in time and at competitive prices. Our value based approach to business has been a foundation for a mutually beneficial long term relationship with our customers. Our employees, technology and infrastructure match the highest international standards.

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Trimethylsilyl Cyanide

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CAS Number

7677-24-9

End Use API

Trandolapril

About the Company

We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating...

We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating back to 1998. Globally renowned for its Organic Compounds, Inorganic Compounds, Industrial Acids, Industrial Chemicals, Zinc Acetates, Calcium Chloride Dihydrates, Speciality Chemicals, and other products, Sagar Life Science Private Limited is a customer-centric business with a primary focus on innovations, quality, and customization. Since sustainability is among our core values, we concentrate on improving the efficiency of our processes to manufacture sustainable results.

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