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Details

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

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

SMILES

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

InChI

InChIKey=HWSHVKNLMBMKSR-QWRGUYRKSA-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-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,1-Dimethylethyl-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate, (4S,cis)-
Systematic Name English
(4S,cis)-1,1-Dimethylethyl-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate
Preferred Name English
1,1-Dimethylethyl (4S,6S)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
Systematic Name English
tert-butyl 2-[(4S,6S)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Systematic Name English
1,3-Dioxane-4-acetic acid, 6-(2-aminoethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S,6S)-
Systematic Name English
Code System Code Type Description
CAS
947586-93-8
Created by admin on Wed Apr 02 18:05:04 GMT 2025 , Edited by admin on Wed Apr 02 18:05:04 GMT 2025
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FDA UNII
R9KHT6B8TC
Created by admin on Wed Apr 02 18:05:04 GMT 2025 , Edited by admin on Wed Apr 02 18:05:04 GMT 2025
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EPA CompTox
DTXSID10595351
Created by admin on Wed Apr 02 18:05:04 GMT 2025 , Edited by admin on Wed Apr 02 18:05:04 GMT 2025
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PUBCHEM
18644844
Created by admin on Wed Apr 02 18:05:04 GMT 2025 , Edited by admin on Wed Apr 02 18:05:04 GMT 2025
PRIMARY
NIH
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