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Details

Stereochemistry ACHIRAL
Molecular Formula C13H32N2.2I
Molecular Weight 470.2155
Optical Activity NONE
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Heptamethylenebis[trimethylammonium iodide]

SMILES

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

InChI

InChIKey=BUCTXJLMXKQBJP-UHFFFAOYSA-L
InChI=1S/C13H32N2.2HI/c1-14(2,3)12-10-8-7-9-11-13-15(4,5)6;;/h7-13H2,1-6H3;2*1H/q+2;;/p-2

HIDE SMILES / InChI

Molecular Formula C13H32N2
Molecular Weight 216.4066
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 19:51:04 GMT 2025
Edited
by admin
on Tue Apr 01 19:51:04 GMT 2025
Record UNII
H8EU3J4L3B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-179890
Preferred Name English
Heptamethylenebis[trimethylammonium iodide]
Systematic Name English
Ammonium, heptamethylenebis[trimethyl-, diiodide
Systematic Name English
1,7-Heptanediaminium, N<sup>1</sup>,N<sup>1</sup>,N<sup>1</sup>,N<sup>7</sup>,N<sup>7</sup>,N<sup>7</sup>-hexamethyl-, iodide (1:2)
Systematic Name English
Code System Code Type Description
NSC
179890
Created by admin on Tue Apr 01 19:51:04 GMT 2025 , Edited by admin on Tue Apr 01 19:51:04 GMT 2025
PRIMARY
PUBCHEM
9310
Created by admin on Tue Apr 01 19:51:04 GMT 2025 , Edited by admin on Tue Apr 01 19:51:04 GMT 2025
PRIMARY
CAS
300-82-3
Created by admin on Tue Apr 01 19:51:04 GMT 2025 , Edited by admin on Tue Apr 01 19:51:04 GMT 2025
PRIMARY
FDA UNII
H8EU3J4L3B
Created by admin on Tue Apr 01 19:51:04 GMT 2025 , Edited by admin on Tue Apr 01 19:51:04 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE