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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H16N.BF4
Molecular Weight 237.045
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-BUTYL-3-METHYLPYRIDINIUM TETRAFLUOROBORATE

SMILES

F[B-](F)(F)F.CCCC[N+]1=CC(C)=CC=C1

InChI

InChIKey=UQEAMJVKASNOMA-UHFFFAOYSA-N
InChI=1S/C10H16N.BF4/c1-3-4-7-11-8-5-6-10(2)9-11;2-1(3,4)5/h5-6,8-9H,3-4,7H2,1-2H3;/q+1;-1

HIDE SMILES / InChI

Molecular Formula C10H16N
Molecular Weight 150.2407
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BF4
Molecular Weight 86.805
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 07:57:24 GMT 2023
Edited
by admin
on Sat Dec 16 07:57:24 GMT 2023
Record UNII
VD3PM7Q3RD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-BUTYL-3-METHYLPYRIDINIUM TETRAFLUOROBORATE
Systematic Name English
PYRIDINIUM, 1-BUTYL-3-METHYL-, TETRAFLUOROBORATE(1-)
Systematic Name English
N-BUTYL-3-METHYLPYRIDINIUM TETRAFLUOROBORATE
Common Name English
PYRIDINIUM, 1-BUTYL-3-METHYL-, TETRAFLUOROBORATE(1-) (1:1)
Systematic Name English
3-METHYL-N-BUTYLPYRIDINIUM TETRAFLUOROBORATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID4049325
Created by admin on Sat Dec 16 07:57:24 GMT 2023 , Edited by admin on Sat Dec 16 07:57:24 GMT 2023
PRIMARY
PUBCHEM
17841257
Created by admin on Sat Dec 16 07:57:24 GMT 2023 , Edited by admin on Sat Dec 16 07:57:24 GMT 2023
PRIMARY
FDA UNII
VD3PM7Q3RD
Created by admin on Sat Dec 16 07:57:24 GMT 2023 , Edited by admin on Sat Dec 16 07:57:24 GMT 2023
PRIMARY
CAS
597581-48-1
Created by admin on Sat Dec 16 07:57:24 GMT 2023 , Edited by admin on Sat Dec 16 07:57:24 GMT 2023
PRIMARY