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Details

Stereochemistry ACHIRAL
Molecular Formula C11H25NO.C2H4O2
Molecular Weight 247.3743
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Propanamine, 3-(octyloxy)-, acetate

SMILES

CC(O)=O.CCCCCCCCOCCCN

InChI

InChIKey=RUFBKNMLVUJMAM-UHFFFAOYSA-N
InChI=1S/C11H25NO.C2H4O2/c1-2-3-4-5-6-7-10-13-11-8-9-12;1-2(3)4/h2-12H2,1H3;1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula C11H25NO
Molecular Weight 187.3223
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:32:50 GMT 2023
Edited
by admin
on Sat Dec 16 12:32:50 GMT 2023
Record UNII
XDC44A8EE4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Propanamine, 3-(octyloxy)-, acetate
Systematic Name English
1-Propanamine, 3-(octyloxy)-, acetate (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
240-068-0
Created by admin on Sat Dec 16 12:32:50 GMT 2023 , Edited by admin on Sat Dec 16 12:32:50 GMT 2023
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EPA CompTox
DTXSID1065972
Created by admin on Sat Dec 16 12:32:50 GMT 2023 , Edited by admin on Sat Dec 16 12:32:50 GMT 2023
PRIMARY
CAS
15930-71-9
Created by admin on Sat Dec 16 12:32:50 GMT 2023 , Edited by admin on Sat Dec 16 12:32:50 GMT 2023
PRIMARY
FDA UNII
XDC44A8EE4
Created by admin on Sat Dec 16 12:32:50 GMT 2023 , Edited by admin on Sat Dec 16 12:32:50 GMT 2023
PRIMARY
PUBCHEM
85193
Created by admin on Sat Dec 16 12:32:50 GMT 2023 , Edited by admin on Sat Dec 16 12:32:50 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE