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Details

Stereochemistry ACHIRAL
Molecular Formula C34H74N2O2.2Cl
Molecular Weight 613.87
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,6-DIOXAOCTAMETHYLENE-1,8-BIS(DODECYLDIMETHYLAMMONIUM CHLORIDE)

SMILES

[Cl-].[Cl-].CCCCCCCCCCCC[N+](C)(C)CCOCCOCC[N+](C)(C)CCCCCCCCCCCC

InChI

InChIKey=NAXBYMNJNJMKIY-UHFFFAOYSA-L
InChI=1S/C34H74N2O2.2ClH/c1-7-9-11-13-15-17-19-21-23-25-27-35(3,4)29-31-37-33-34-38-32-30-36(5,6)28-26-24-22-20-18-16-14-12-10-8-2;;/h7-34H2,1-6H3;2*1H/q+2;;/p-2

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C34H74N2O2
Molecular Weight 542.9636
Charge 2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:04:22 GMT 2023
Edited
by admin
on Fri Dec 15 15:04:22 GMT 2023
Record UNII
RZ4LUW7ARD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,6-DIOXAOCTAMETHYLENE-1,8-BIS(DODECYLDIMETHYLAMMONIUM CHLORIDE)
Systematic Name English
1-DODECANAMINIUM, N,N'-(1,2-ETHANEDIYLBIS(OXY-2,1-ETHANEDIYL))BIS(N,N-DIMETHYL-, DICHLORIDE
Systematic Name English
Code System Code Type Description
CAS
135766-43-7
Created by admin on Fri Dec 15 15:04:22 GMT 2023 , Edited by admin on Fri Dec 15 15:04:22 GMT 2023
PRIMARY
FDA UNII
RZ4LUW7ARD
Created by admin on Fri Dec 15 15:04:22 GMT 2023 , Edited by admin on Fri Dec 15 15:04:22 GMT 2023
PRIMARY
PUBCHEM
133082862
Created by admin on Fri Dec 15 15:04:22 GMT 2023 , Edited by admin on Fri Dec 15 15:04:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE