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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H50NO2.Cl
Molecular Weight 408.102
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-OCTADECANAMINIUM, N,N-BIS(2-HYDROXYETHYL)-N-METHYL-, CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(CCO)CCO

InChI

InChIKey=SUZSZZWHCFLFSP-UHFFFAOYSA-M
InChI=1S/C23H50NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(2,20-22-25)21-23-26;/h25-26H,3-23H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C23H49NO2
Molecular Weight 371.6407
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:52:35 GMT 2023
Edited
by admin
on Fri Dec 15 15:52:35 GMT 2023
Record UNII
B42N5JG81H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-OCTADECANAMINIUM, N,N-BIS(2-HYDROXYETHYL)-N-METHYL-, CHLORIDE
Systematic Name English
PEG-2 STEARMONIUM CHLORIDE [INCI]
Common Name English
PEG-2 STEARYL QUATERNIUM-4
Common Name English
BIS(2-HYDROXYETHYL)METHYLOCTADECYLAMMONIUM CHLORIDE
Systematic Name English
OCTADECYLBIS(2-HYDROXYETHYL)METHYLAMMONIUM CHLORIDE
Systematic Name English
PEG-2 STEARMONIUM CHLORIDE
INCI  
INCI  
Official Name English
Classification Tree Code System Code
Food Contact Sustance Notif, (FCN No.) FCN NO. 932
Created by admin on Fri Dec 15 15:52:35 GMT 2023 , Edited by admin on Fri Dec 15 15:52:35 GMT 2023
Code System Code Type Description
CAS
3010-24-0
Created by admin on Fri Dec 15 15:52:35 GMT 2023 , Edited by admin on Fri Dec 15 15:52:35 GMT 2023
PRIMARY
FDA UNII
B42N5JG81H
Created by admin on Fri Dec 15 15:52:35 GMT 2023 , Edited by admin on Fri Dec 15 15:52:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID0041276
Created by admin on Fri Dec 15 15:52:35 GMT 2023 , Edited by admin on Fri Dec 15 15:52:35 GMT 2023
PRIMARY
PUBCHEM
76375
Created by admin on Fri Dec 15 15:52:35 GMT 2023 , Edited by admin on Fri Dec 15 15:52:35 GMT 2023
PRIMARY