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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H30N.Cl
Molecular Weight 283.88
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYLDIMETHYLOCTYLAMMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCC[N+](C)(C)CC1=CC=CC=C1

InChI

InChIKey=PXFDQFDPXWHEEP-UHFFFAOYSA-M
InChI=1S/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;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 C17H30N
Molecular Weight 248.4268
Charge 1
Count
Stereochemistry RACEMIC
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 Sat Dec 16 06:59:55 GMT 2023
Edited
by admin
on Sat Dec 16 06:59:55 GMT 2023
Record UNII
OC19CZY82T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYLDIMETHYLOCTYLAMMONIUM CHLORIDE
Systematic Name English
N-OCTYL DIMETHYL BENZYL AMMONIUM CHLORIDE
Systematic Name English
CAPRYLYLALKONIUM CHLORIDE
INCI  
INCI  
Official Name English
BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-OCTYL-, CHLORIDE (1:1)
Systematic Name English
DIMETHYLBENZYL-N-OCTYLAMMONIUM CHLORIDE
Systematic Name English
AMMONIUM, BENZYLDIMETHYLOCTYL-, CHLORIDE
Systematic Name English
N-BENZYL-N,N-DIMETHYLOCTAN-1-AMINIUM CHLORIDE
Systematic Name English
N,N-DIMETHYL-N-OCTYLBENZENEMETHANAMINIUM CHLORIDE
Systematic Name English
CAPRYLYLALKONIUM CHLORIDE [INCI]
Common Name English
BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-OCTYL-, CHLORIDE
Systematic Name English
OCTYLDIMETHYLBENZYLAMMONIUM CHLORIDE
Systematic Name English
OCTYLBENZYLDIMETHYLAMMONIUM CHLORIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID6041634
Created by admin on Sat Dec 16 06:59:56 GMT 2023 , Edited by admin on Sat Dec 16 06:59:56 GMT 2023
PRIMARY
DAILYMED
OC19CZY82T
Created by admin on Sat Dec 16 06:59:56 GMT 2023 , Edited by admin on Sat Dec 16 06:59:56 GMT 2023
PRIMARY
ECHA (EC/EINECS)
213-502-1
Created by admin on Sat Dec 16 06:59:56 GMT 2023 , Edited by admin on Sat Dec 16 06:59:56 GMT 2023
PRIMARY
FDA UNII
OC19CZY82T
Created by admin on Sat Dec 16 06:59:56 GMT 2023 , Edited by admin on Sat Dec 16 06:59:56 GMT 2023
PRIMARY
PUBCHEM
13740
Created by admin on Sat Dec 16 06:59:56 GMT 2023 , Edited by admin on Sat Dec 16 06:59:56 GMT 2023
PRIMARY
CAS
959-55-7
Created by admin on Sat Dec 16 06:59:56 GMT 2023 , Edited by admin on Sat Dec 16 06:59:56 GMT 2023
PRIMARY
RXCUI
2399551
Created by admin on Sat Dec 16 06:59:56 GMT 2023 , Edited by admin on Sat Dec 16 06:59:56 GMT 2023
PRIMARY