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

Details

Stereochemistry ACHIRAL
Molecular Formula C32H60N.Cl
Molecular Weight 494.279
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIDODECYL METHYL BENZYL AMMONIUM CHLORIDE

SMILES

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

InChI

InChIKey=OZISYDUERWIGSU-UHFFFAOYSA-M
InChI=1S/C32H60N.ClH/c1-4-6-8-10-12-14-16-18-20-25-29-33(3,31-32-27-23-22-24-28-32)30-26-21-19-17-15-13-11-9-7-5-2;/h22-24,27-28H,4-21,25-26,29-31H2,1-3H3;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 C32H60N
Molecular Weight 458.8255
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 09:57:47 GMT 2023
Edited
by admin
on Sat Dec 16 09:57:47 GMT 2023
Record UNII
P429CXA12Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIDODECYL METHYL BENZYL AMMONIUM CHLORIDE
Systematic Name English
BENZENEMETHANAMINIUM, N,N-DIDODECYL-N-METHYL-, CHLORIDE (1:1)
Systematic Name English
DILAURYL METHYL BENZYL AMMONIUM CHLORIDE
Systematic Name English
DIDODECYL-N-BENZYL-N-METHYLAMMONIUMCHLORID
Common Name English
Code System Code Type Description
FDA UNII
P429CXA12Q
Created by admin on Sat Dec 16 09:57:47 GMT 2023 , Edited by admin on Sat Dec 16 09:57:47 GMT 2023
PRIMARY
PUBCHEM
23177871
Created by admin on Sat Dec 16 09:57:47 GMT 2023 , Edited by admin on Sat Dec 16 09:57:47 GMT 2023
PRIMARY
CAS
57322-85-7
Created by admin on Sat Dec 16 09:57:47 GMT 2023 , Edited by admin on Sat Dec 16 09:57:47 GMT 2023
PRIMARY