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Details

Stereochemistry RACEMIC
Molecular Formula C21H45ClNO.Cl
Molecular Weight 398.494
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of (3-CHLORO-2-HYDROXYPROPYL)CETYLDIMETHYLAMMONIUM CHLORIDE

SMILES

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

InChI

InChIKey=UVIVAMFWGTYFHV-UHFFFAOYSA-M
InChI=1S/C21H45ClNO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(2,3)20-21(24)19-22;/h21,24H,4-20H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C21H44ClNO
Molecular Weight 362.033
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 14:03:59 GMT 2023
Edited
by admin
on Sat Dec 16 14:03:59 GMT 2023
Record UNII
5F8E30RZ76
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3-CHLORO-2-HYDROXYPROPYL)CETYLDIMETHYLAMMONIUM CHLORIDE
Systematic Name English
CETYLDIMETHYL(3-CHLORO-2-HYDROXYPROPYL)AMMONIUM CHLORIDE
Systematic Name English
(3-CHLORO-2-HYDROXYPROPYL)HEXADECYLDIMETHYLAMMONIUM CHLORIDE
Systematic Name English
1-HEXADECANAMINIUM, N-(3-CHLORO-2-HYDROXYPROPYL)-N,N-DIMETHYL-, CHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
38739-71-8
Created by admin on Sat Dec 16 14:03:59 GMT 2023 , Edited by admin on Sat Dec 16 14:03:59 GMT 2023
PRIMARY
PUBCHEM
21189200
Created by admin on Sat Dec 16 14:03:59 GMT 2023 , Edited by admin on Sat Dec 16 14:03:59 GMT 2023
PRIMARY
FDA UNII
5F8E30RZ76
Created by admin on Sat Dec 16 14:03:59 GMT 2023 , Edited by admin on Sat Dec 16 14:03:59 GMT 2023
PRIMARY