CAS 125995-13-3 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
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

CAS 125995-13-3
1 2D Structure

CAS 125995-13-3

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

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more

MARKET PLACE

Do you need sourcing support? Ask us
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty