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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H27NO4
Molecular Weight 273.3685
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-Dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, (4R-cis)-

SMILES

CC(C)(C)OC(=O)C[C@H]1C[C@@H](CCN)OC(C)(C)O1

InChI

InChIKey=HWSHVKNLMBMKSR-GHMZBOCLSA-N
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

HIDE SMILES / InChI

Molecular Formula C14H27NO4
Molecular Weight 273.3685
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:11:51 GMT 2025
Edited
by admin
on Wed Apr 02 18:11:51 GMT 2025
Record UNII
R3QE8JH2KS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4R-cis)-1,1-Dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
Preferred Name English
1,1-Dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, (4R-cis)-
Systematic Name English
tert-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, (4R,6R)-
Systematic Name English
[(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl-[1,3]dioxan-4-yl]acetic acid tert-butyl ester
Systematic Name English
1,1-Dimethylethyl (4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
Systematic Name English
1,3-Dioxane-4-acetic acid, 6-(2-aminoethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R-cis)-
Systematic Name English
tert-Butyl 2-[(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Systematic Name English
Code System Code Type Description
CAS
125995-13-3
Created by admin on Wed Apr 02 18:11:51 GMT 2025 , Edited by admin on Wed Apr 02 18:11:51 GMT 2025
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EPA CompTox
DTXSID40925344
Created by admin on Wed Apr 02 18:11:51 GMT 2025 , Edited by admin on Wed Apr 02 18:11:51 GMT 2025
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FDA UNII
R3QE8JH2KS
Created by admin on Wed Apr 02 18:11:51 GMT 2025 , Edited by admin on Wed Apr 02 18:11:51 GMT 2025
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PUBCHEM
2734288
Created by admin on Wed Apr 02 18:11:51 GMT 2025 , Edited by admin on Wed Apr 02 18:11:51 GMT 2025
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