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Details

Stereochemistry ACHIRAL
Molecular Formula C24H47N2O2.Cl
Molecular Weight 431.095
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-BIS(2-HYDROXYETHYL)-2-HEPTADECENYL IMIDAZOLINIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCCCCCCCC1=NC=C[N+]1(CCO)CCO

InChI

InChIKey=WXWBSMIWOBDOFQ-UHFFFAOYSA-M
InChI=1S/C24H47N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-25-18-19-26(24,20-22-27)21-23-28;/h18-19,27-28H,2-17,20-23H2,1H3;1H/q+1;/p-1

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 C24H46N2O2
Molecular Weight 394.6342
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:33:06 GMT 2025
Edited
by admin
on Mon Mar 31 23:33:06 GMT 2025
Record UNII
U4LW24XQ2A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1-BIS(2-HYDROXYETHYL)-2-HEPTADECYL IMIDAZOLINIUM CHLORIDE
Preferred Name English
1,3-BIS(2-HYDROXYETHYL)-2-HEPTADECENYL IMIDAZOLINIUM CHLORIDE
Systematic Name English
1H-IMIDAZOLIUM, 2-HEPTADECYL-1,1-BIS(2-HYDROXYETHYL)-, CHLORIDE (1:1)
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 295800
Created by admin on Mon Mar 31 23:33:06 GMT 2025 , Edited by admin on Mon Mar 31 23:33:06 GMT 2025
Code System Code Type Description
FDA UNII
U4LW24XQ2A
Created by admin on Mon Mar 31 23:33:06 GMT 2025 , Edited by admin on Mon Mar 31 23:33:06 GMT 2025
PRIMARY
PUBCHEM
138395064
Created by admin on Mon Mar 31 23:33:06 GMT 2025 , Edited by admin on Mon Mar 31 23:33:06 GMT 2025
PRIMARY
CAS
76069-38-0
Created by admin on Mon Mar 31 23:33:06 GMT 2025 , Edited by admin on Mon Mar 31 23:33:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID50897285
Created by admin on Mon Mar 31 23:33:06 GMT 2025 , Edited by admin on Mon Mar 31 23:33:06 GMT 2025
PRIMARY