CAS 76308-26-4

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Also known as: 76308-26-4, Ethyl 2-(trans-4-aminocyclohexyl)acetate hydrochloride, 76308-13-9, Ethyl trans-2-(4-aminocyclohexyl)acetate, hcl, Ethyl 2-(4-aminocyclohexyl)acetate hydrochloride, Ethyl 2-(4-aminocyclohexyl)acetate;hydrochloride

Molecular Formula

C₁₀H₂₀ClNO₂

Molecular Weight

221.72 g/mol

InChI Key

KBMWRCPPPDEVSJ-UHFFFAOYSA-N

1 2D Structure

CAS 76308-26-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-(4-aminocyclohexyl)acetate;hydrochloride

2.1.2 InChI

InChI=1S/C10H19NO2.ClH/c1-2-13-10(12)7-8-3-5-9(11)6-4-8;/h8-9H,2-7,11H2,1H3;1H

2.1.3 InChI Key

KBMWRCPPPDEVSJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)CC1CCC(CC1)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 76308-26-4

2. Ethyl 2-(trans-4-aminocyclohexyl)acetate Hydrochloride

3. 76308-13-9

4. Ethyl Trans-2-(4-aminocyclohexyl)acetate, Hcl

5. Ethyl 2-(4-aminocyclohexyl)acetate Hydrochloride

6. Ethyl 2-(4-aminocyclohexyl)acetate;hydrochloride

7. Mfcd16660366

8. 1984061-85-9

9. Cyclohexaneacetic Acid, 4-amino-, Ethyl Ester, Hydrochloride, Trans-

10. 4-aminocyclohexaneacetic Acid Ethyl Ester Hcl

11. Ethyl Trans-2-(4-aminocyclohexyl)acetate Hcl

12. Schembl229869

13. Schembl229870

14. 2-cyanomethyl-4-phenylthiazole

15. Dtxsid70504126

16. Amy20514

17. Bcp30607

18. Bda30826

19. Cyclohexaneacetic Acid, 4-amino-, Ethyl Ester, Hydrochloride, Cis-

20. Akos015902463

21. At26919

22. Ethyl Cis-4-amino-cyclohexaneacetate Hcl

23. Cs-11197

24. Ds-17115

25. Sy008639

26. Db-075100

27. Cs-0008597

28. Cs-0361400

29. E1374

30. Ft-0737396

31. Ethyl 2-(trans-4-aminocyclohexyl)acetate Hcl

32. Ethyl2-(4-aminocyclohexyl)acetatehydrochloride

33. Ethyl 2-(4-aminocyclohexyl)acetate Hcl

34. P15634

35. Ethyl(trans-4-aminocyclohexyl)acetate Hydrochloride

36. Ethyl (trans-4-aminocyclohexyl)acetate Hydrochloride

37. Ethyl 2-(cis-4-aminocyclohexyl)acetate Hydrochloride

38. Ethyl 2-[(1r,4r)-4-aminocyclohexyl]acetate Hcl

39. F2167-8217

40. Ethyl (4-aminocyclohexyl)acetate--hydrogen Chloride (1/1)

41. (trans-4-amino-cyclohexyl)-acetic Acid Ethyl Ester Hydrochloride

42. Trans-(4-amino-cyclohexyl)-acetic Acid Ethyl Ester Hydrochloride

43. Ethyl 2-(trans-4-aminocyclohexyl)acetate Hydrochloride Pound>>trans-ethyl 2-(4-aminocyclohexyl)acetate Hydrochloride

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₂₀ClNO₂
Molecular Weight	221.72 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	221.1182566 g/mol
Monoisotopic Mass	221.1182566 g/mol
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	162
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