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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H26N2.2I
Molecular Weight 428.1358
Optical Activity NONE
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tetramethylenebis[trimethylammonium iodide]

SMILES

[I-].[I-].C[N+](C)(C)CCCC[N+](C)(C)C

InChI

InChIKey=XBMXISXOPRJSTJ-UHFFFAOYSA-L
InChI=1S/C10H26N2.2HI/c1-11(2,3)9-7-8-10-12(4,5)6;;/h7-10H2,1-6H3;2*1H/q+2;;/p-2

HIDE SMILES / InChI

Molecular Formula C10H26N2
Molecular Weight 174.3268
Charge 2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity NONE

Molecular Formula I
Molecular Weight 126.90447
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 Tue Apr 01 19:58:59 GMT 2025
Edited
by admin
on Tue Apr 01 19:58:59 GMT 2025
Record UNII
4S6C98ZR5Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Tetramethylenebis[trimethylammonium iodide]
Systematic Name English
NSC-179889
Preferred Name English
Ammonium, tetramethylenebis[trimethyl-, diiodide
Systematic Name English
1,4-Butanediaminium, N<sup>1</sup>,N<sup>1</sup>,N<sup>1</sup>,N<sup>4</sup>,N<sup>4</sup>,N<sup>4</sup>-hexamethyl-, iodide (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
4S6C98ZR5Q
Created by admin on Tue Apr 01 19:58:59 GMT 2025 , Edited by admin on Tue Apr 01 19:58:59 GMT 2025
PRIMARY
NSC
179889
Created by admin on Tue Apr 01 19:58:59 GMT 2025 , Edited by admin on Tue Apr 01 19:58:59 GMT 2025
PRIMARY
PUBCHEM
31634
Created by admin on Tue Apr 01 19:58:59 GMT 2025 , Edited by admin on Tue Apr 01 19:58:59 GMT 2025
PRIMARY
CAS
23045-52-5
Created by admin on Tue Apr 01 19:58:59 GMT 2025 , Edited by admin on Tue Apr 01 19:58:59 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE