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Details

Stereochemistry ACHIRAL
Molecular Formula C14H34N2.2I
Molecular Weight 484.2421
Optical Activity NONE
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Octamethylenebis[trimethylammonium iodide]

SMILES

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

InChI

InChIKey=GKRNQTWNDNYKPA-UHFFFAOYSA-L
InChI=1S/C14H34N2.2HI/c1-15(2,3)13-11-9-7-8-10-12-14-16(4,5)6;;/h7-14H2,1-6H3;2*1H/q+2;;/p-2

HIDE SMILES / InChI

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

Molecular Formula C14H34N2
Molecular Weight 230.4332
Charge 2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:05:43 GMT 2025
Edited
by admin
on Tue Apr 01 20:05:43 GMT 2025
Record UNII
9KQE52KAB9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Octamethylenebis[trimethylammonium iodide]
Common Name English
NSC-179891
Preferred Name English
Ammonium, octamethylenebis[trimethyl-, diiodide
Systematic Name English
1,8-Octanediaminium, N<sup>1</sup>,N<sup>1</sup>,N<sup>1</sup>,N<sup>8</sup>,N<sup>8</sup>,N<sup>8</sup>-hexamethyl-, iodide (1:2)
Systematic Name English
Code System Code Type Description
NSC
179891
Created by admin on Tue Apr 01 20:05:43 GMT 2025 , Edited by admin on Tue Apr 01 20:05:43 GMT 2025
PRIMARY
FDA UNII
9KQE52KAB9
Created by admin on Tue Apr 01 20:05:43 GMT 2025 , Edited by admin on Tue Apr 01 20:05:43 GMT 2025
PRIMARY
CAS
3868-84-6
Created by admin on Tue Apr 01 20:05:43 GMT 2025 , Edited by admin on Tue Apr 01 20:05:43 GMT 2025
PRIMARY
PUBCHEM
19743
Created by admin on Tue Apr 01 20:05:43 GMT 2025 , Edited by admin on Tue Apr 01 20:05:43 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE