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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

CAS 76308-26-4
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 Weight 221.72 g/mol
Molecular Formula C10H20ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass221.1182566 g/mol
Monoisotopic Mass221.1182566 g/mol
Topological Polar Surface Area52.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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