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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H16N.I
Molecular Weight 277.1452
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-BUTYL-2-METHYLPYRIDINIUM IODIDE

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.91241
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:59:24 GMT 2025
Edited
by admin
on Mon Mar 31 21:59:24 GMT 2025
Record UNII
FZE5ELR984
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-BUTYL-2-PICOLINIUM IODIDE
Preferred Name English
N-BUTYL-2-METHYLPYRIDINIUM IODIDE
Systematic Name English
1-BUTYL-2-METHYLPYRIDINIUM IODIDE
Systematic Name English
PYRIDINIUM, 1-BUTYL-2-METHYL-, IODIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2049214
Created by admin on Mon Mar 31 21:59:24 GMT 2025 , Edited by admin on Mon Mar 31 21:59:24 GMT 2025
PRIMARY
CAS
13311-31-4
Created by admin on Mon Mar 31 21:59:24 GMT 2025 , Edited by admin on Mon Mar 31 21:59:24 GMT 2025
PRIMARY
PUBCHEM
15932798
Created by admin on Mon Mar 31 21:59:24 GMT 2025 , Edited by admin on Mon Mar 31 21:59:24 GMT 2025
PRIMARY
FDA UNII
FZE5ELR984
Created by admin on Mon Mar 31 21:59:24 GMT 2025 , Edited by admin on Mon Mar 31 21:59:24 GMT 2025
PRIMARY