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Details

Stereochemistry RACEMIC
Molecular Formula C23H49ClNO.Cl
Molecular Weight 426.547
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CHLORO-2-HYDROXYPROPYLSTEARYLDIMETHYLAMMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(O)CCl

InChI

InChIKey=QIKIJFUVHGOQOK-UHFFFAOYSA-M
InChI=1S/C23H49ClNO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(2,3)22-23(26)21-24;/h23,26H,4-22H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C23H48ClNO
Molecular Weight 390.086
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

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:11:48 GMT 2023
Edited
by admin
on Sat Dec 16 14:11:48 GMT 2023
Record UNII
JT8J7696TO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CHLORO-2-HYDROXYPROPYLSTEARYLDIMETHYLAMMONIUM CHLORIDE
Systematic Name English
QUAB-426
Code English
OCTADECYLDIMETHYL(2-HYDROXY-3-CHLOROPROPYL)AMMONIUM CHLORIDE
Systematic Name English
(3-CHLORO-2-HYDROXYPROPYL)-N,N,N-DIMETHYLOCTADECYLAMMONIUM CHLORIDE
Systematic Name English
1-OCTADECANAMINIUM, N-(3-CHLORO-2-HYDROXYPROPYL)-N,N-DIMETHYL-, CHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
221-083-1
Created by admin on Sat Dec 16 14:11:48 GMT 2023 , Edited by admin on Sat Dec 16 14:11:48 GMT 2023
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PUBCHEM
102919
Created by admin on Sat Dec 16 14:11:48 GMT 2023 , Edited by admin on Sat Dec 16 14:11:48 GMT 2023
PRIMARY
CAS
3001-63-6
Created by admin on Sat Dec 16 14:11:48 GMT 2023 , Edited by admin on Sat Dec 16 14:11:48 GMT 2023
PRIMARY
FDA UNII
JT8J7696TO
Created by admin on Sat Dec 16 14:11:48 GMT 2023 , Edited by admin on Sat Dec 16 14:11:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID90952423
Created by admin on Sat Dec 16 14:11:48 GMT 2023 , Edited by admin on Sat Dec 16 14:11:48 GMT 2023
PRIMARY