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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H18N.F6P
Molecular Weight 309.2315
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Hexylpyridinium hexafluorophosphate

SMILES

F[P-](F)(F)(F)(F)F.CCCCCC[N+]1=CC=CC=C1

InChI

InChIKey=DKRTWJPQQYAIHH-UHFFFAOYSA-N
InChI=1S/C11H18N.F6P/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-7(2,3,4,5)6/h5,7-8,10-11H,2-4,6,9H2,1H3;/q+1;-1

HIDE SMILES / InChI

Molecular Formula C11H18N
Molecular Weight 164.2673
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula F6P
Molecular Weight 144.964181
Charge -1
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 Wed Apr 02 17:24:09 GMT 2025
Edited
by admin
on Wed Apr 02 17:24:09 GMT 2025
Record UNII
JLW8UBX22E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Hexylpyridinium hexafluorophosphate
Systematic Name English
N-Hexylpyridinium hexafluorophosphate
Preferred Name English
Pyridinium, 1-hexyl-, hexafluorophosphate(1-) (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
2734177
Created by admin on Wed Apr 02 17:24:09 GMT 2025 , Edited by admin on Wed Apr 02 17:24:09 GMT 2025
PRIMARY
FDA UNII
JLW8UBX22E
Created by admin on Wed Apr 02 17:24:09 GMT 2025 , Edited by admin on Wed Apr 02 17:24:09 GMT 2025
PRIMARY
CAS
797789-00-5
Created by admin on Wed Apr 02 17:24:09 GMT 2025 , Edited by admin on Wed Apr 02 17:24:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID7047936
Created by admin on Wed Apr 02 17:24:09 GMT 2025 , Edited by admin on Wed Apr 02 17:24:09 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE