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CAS 125995-13-3 manufacturers and suppliers on PharmaCompass

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(4R-cis)-1,1-dimethyethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
Also known as: 125995-13-3, Tert-butyl 2-[(4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate, (4r,cis)-1,1-dimethylethyl-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate, (4r,6r)-t-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, 1,1-dimethylethyl (4r-cis)-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate, Tert-butyl 2-((4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
Molecular Formula
C14H27NO4
Molecular Weight
273.37  g/mol
InChI Key
HWSHVKNLMBMKSR-GHMZBOCLSA-N

1 2D Structure

(4R-cis)-1,1-dimethyethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
2.1.2 InChI
InChI=1S/C14H27NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6-9,15H2,1-5H3/t10-,11-/m1/s1
2.1.3 InChI Key
HWSHVKNLMBMKSR-GHMZBOCLSA-N
2.1.4 Canonical SMILES
CC1(OC(CC(O1)CC(=O)OC(C)(C)C)CCN)C
2.1.5 Isomeric SMILES
CC1(O[C@@H](C[C@@H](O1)CC(=O)OC(C)(C)C)CCN)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 125995-13-3

2. Tert-butyl 2-[(4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

3. (4r,cis)-1,1-dimethylethyl-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate

4. (4r,6r)-t-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

5. 1,1-dimethylethyl (4r-cis)-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate

6. Tert-butyl 2-((4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

7. 1,3-dioxane-4-acetic Acid, 6-(2-aminoethyl)-2,2-dimethyl-, 1,1-dimethylethyl Ester, (4r,6r)-

8. Mfcd07369252

9. Schembl916725

10. Zinc4284042

11. Akos015894231

12. Am90285

13. Cs-w003388

14. Ds-10700

15. Db-005514

16. 95b133

17. 995b133

18. A805453

19. J-005316

20. (4r,6r)-tert-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4acetate

21. (+/-)-cis-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

22. (4r)-2,2-dimethyl-6beta-(2-aminoethyl)-1,3-dioxane-4beta-acetic Acid Tert-butyl Ester

23. (4r,6r)-t-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, Aldrichcpr

24. (4r-cis)-1,1-dimethyethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

25. (4r-cis)-1,1-dimethyl Ethyl-6-amino Ethyl-2,2-dimethyl-1,3-dioxane-4-acetate

26. (4r-cis)-1,1-dimethylethyl 6-(2-aminoethyl) -2,2-dimethyl-1,3-dioxane-4-acetate

27. (4r-cis)-1,1-dimethylethyl 6-(2-aminoethyl)- 2,2-dimethyl-1,3-dioxane-4-acetate

28. (4r-cis)-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

29. (4r-cis)-1,1dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

30. [(4r,6r)-6-(2-amino-ethyl)-2,2-dimethyl-[1,3]dioxan-4-yl]-acetic Acid Tert-butyl Ester

31. 2-[(4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic Acid Tert-butyl Ester

32. T-butyl 2-((4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-yl)acetate

33. Tert-butyl [(4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

34. 1,3-dioxane-4-aceticacid,6-(2-aminoethyl-2-13c)-2,2-dimethyl-,1,1-dimethylethyl Ester,(4r-cis)-(9ci)

35. 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-3,3-dimethyl-butanoate;(4r,6r)-tert-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 273.37 g/mol
Molecular Formula C14H27NO4
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass273.19400834 g/mol
Monoisotopic Mass273.19400834 g/mol
Topological Polar Surface Area70.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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