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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H44N.Cl
Molecular Weight 382.066
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-DIMETHYL-N-LAURYL-2,4,5-TRIMETHYLBENZYLAMMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCC[N+](C)(C)CC1=CC(C)=C(C)C=C1C

InChI

InChIKey=YFZJXASJOCYMLT-UHFFFAOYSA-M
InChI=1S/C24H44N.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-25(5,6)20-24-19-22(3)21(2)18-23(24)4;/h18-19H,7-17,20H2,1-6H3;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 C24H44N
Molecular Weight 346.6129
Charge 1
Count
Stereochemistry RACEMIC
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 10:53:29 GMT 2023
Edited
by admin
on Sat Dec 16 10:53:29 GMT 2023
Record UNII
6L86UL036T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N-DIMETHYL-N-LAURYL-2,4,5-TRIMETHYLBENZYLAMMONIUM CHLORIDE
Systematic Name English
DODECYL DIMETHYL 2,4,5-TRIMETHYLBENZYL AMMONIUM CHLORIDE
Systematic Name English
BENZENEMETHANAMINIUM, N-DODECYL-N,N,2,4,5-PENTAMETHYL-, CHLORIDE (1:1)
Systematic Name English
BENZENEMETHANAMINIUM, N-DODECYL-N,N,2,4,5-PENTAMETHYL-, CHLORIDE
Systematic Name English
N-DODECYL-N,N-DIMETHYL-2,4,5-TRIMETHYLBENZYLAMMONIUM CHLORIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80895779
Created by admin on Sat Dec 16 10:53:29 GMT 2023 , Edited by admin on Sat Dec 16 10:53:29 GMT 2023
PRIMARY
FDA UNII
6L86UL036T
Created by admin on Sat Dec 16 10:53:29 GMT 2023 , Edited by admin on Sat Dec 16 10:53:29 GMT 2023
PRIMARY
CAS
53404-46-9
Created by admin on Sat Dec 16 10:53:29 GMT 2023 , Edited by admin on Sat Dec 16 10:53:29 GMT 2023
PRIMARY
PUBCHEM
44154644
Created by admin on Sat Dec 16 10:53:29 GMT 2023 , Edited by admin on Sat Dec 16 10:53:29 GMT 2023
PRIMARY