U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H25NO
Molecular Weight 187.3223
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Isooctyloxy)-1-propanamine

SMILES

CC(C)CCCCCOCCCN

InChI

InChIKey=WNESQTLZVOTCIL-UHFFFAOYSA-N
InChI=1S/C11H25NO/c1-11(2)7-4-3-5-9-13-10-6-8-12/h11H,3-10,12H2,1-2H3

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:25:45 GMT 2023
Edited
by admin
on Sat Dec 16 12:25:45 GMT 2023
Record UNII
QBL7EK2ATW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Isooctyloxy)-1-propanamine
Systematic Name English
1-Propanamine, 3-(isooctyloxy)-
Systematic Name English
Code System Code Type Description
FDA UNII
QBL7EK2ATW
Created by admin on Sat Dec 16 12:25:45 GMT 2023 , Edited by admin on Sat Dec 16 12:25:45 GMT 2023
PRIMARY
ECHA (EC/EINECS)
256-880-3
Created by admin on Sat Dec 16 12:25:45 GMT 2023 , Edited by admin on Sat Dec 16 12:25:45 GMT 2023
PRIMARY
PUBCHEM
110088
Created by admin on Sat Dec 16 12:25:45 GMT 2023 , Edited by admin on Sat Dec 16 12:25:45 GMT 2023
PRIMARY
CAS
50977-09-8
Created by admin on Sat Dec 16 12:25:45 GMT 2023 , Edited by admin on Sat Dec 16 12:25:45 GMT 2023
PRIMARY