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Details

Stereochemistry ACHIRAL
Molecular Formula C13H29NO.C2H4O2
Molecular Weight 275.4274
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(ISODECYLOXY)PROPYLAMMONIUM ACETATE

SMILES

CC(O)=O.CC(C)CCCCCCCOCCCN

InChI

InChIKey=BOKTVFODBQQGIH-UHFFFAOYSA-N
InChI=1S/C13H29NO.C2H4O2/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14;1-2(3)4/h13H,3-12,14H2,1-2H3;1H3,(H,3,4)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-(ISODECYLOXY)PROPYLAMMONIUM ACETATE
Systematic Name English
1-PROPANAMINE, 3-(ISODECYLOXY)-, ACETATE
Preferred Name English
3-((8-METHYLNONYL)OXY)PROPAN-1-AMINE ACETATE
Systematic Name English
1-PROPANAMINE, 3-(ISODECYLOXY)-, ACETATE (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
249-166-8
Created by admin on Mon Mar 31 22:07:05 GMT 2025 , Edited by admin on Mon Mar 31 22:07:05 GMT 2025
PRIMARY
CAS
28701-67-9
Created by admin on Mon Mar 31 22:07:05 GMT 2025 , Edited by admin on Mon Mar 31 22:07:05 GMT 2025
PRIMARY
PUBCHEM
120012
Created by admin on Mon Mar 31 22:07:05 GMT 2025 , Edited by admin on Mon Mar 31 22:07:05 GMT 2025
PRIMARY
FDA UNII
OGC5JC4WK0
Created by admin on Mon Mar 31 22:07:05 GMT 2025 , Edited by admin on Mon Mar 31 22:07:05 GMT 2025
PRIMARY
NIH
NCATS
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