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Details

Stereochemistry ACHIRAL
Molecular Formula C25H54N.Cl
Molecular Weight 404.156
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLTRICAPRYLYLAMMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC

InChI

InChIKey=XKBGEWXEAPTVCK-UHFFFAOYSA-M
InChI=1S/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI
Molecular Formula C25H54N
Molecular Weight 368.703
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE
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

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:19:05 GMT 2025
Edited
by admin
on Mon Mar 31 19:19:05 GMT 2025
Record UNII
07Q8S2MJ6A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALIQUAT 128
Preferred Name English
METHYLTRICAPRYLYLAMMONIUM CHLORIDE
Systematic Name English
AMMONIUM, METHYLTRIOCTYL-, CHLORIDE
Systematic Name English
METHYLTRIOCTYLAMMONIUM CHLORIDE
Systematic Name English
TRIOCTYLMONOMETHYLAMMONIUM CHLORIDE
Systematic Name English
NSC-61369
Code English
TOMAC
Brand Name English
CAPRIQUAT
Brand Name English
1-OCTANAMINIUM, N-METHYL-N,N-DIOCTYL-, CHLORIDE
Systematic Name English
METHYLTRI-N-OCTYLAMMONIUM CHLORIDE
Systematic Name English
METHYL TRIOCTYL AMMONIUM CHLORIDE
Systematic Name English
TOMAC 75
Brand Name English
N-METHYL-N,N,N-TRIOCTYLAMMONIUM CHLORIDE
Systematic Name English
TRI-N-OCTYLMETHYLAMMONIUM CHLORIDE
Systematic Name English
1-OCTANAMINIUM, N-METHYL-N,N-DIOCTYL-, CHLORIDE (1:1)
Systematic Name English
TRIOCTYLMETHYLAMMONIUM CHLORIDE
Systematic Name English
Code System Code Type Description
NSC
61369
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
CAS
22061-11-6
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
MAJOR COMPONENT STRUCTURE/SEQUENCE
CAS
5137-55-3
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID1044487
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
PUBCHEM
21218
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
SMS_ID
300000053459
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
FDA UNII
07Q8S2MJ6A
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
ECHA (EC/EINECS)
225-896-2
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
CHEBI
75286
Created by admin on Mon Mar 31 19:19:05 GMT 2025 , Edited by admin on Mon Mar 31 19:19:05 GMT 2025
PRIMARY
Related Record Type Details
Structure of METHYLTRICAPRYLYLAMMONIUM
PARENT -> SALT/SOLVATE
NIH
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