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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H41N.C8H6Cl2O3
Molecular Weight 516.584
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,4-D N,N-DIMETHYLOLEYLAMINE

SMILES

OC(=O)COC1=CC=C(Cl)C=C1Cl.CCCCCCCC\C=C/CCCCCCCCN(C)C

InChI

InChIKey=PBWQSHROBVOSHT-AFEZEDKISA-N
InChI=1S/C20H41N.C8H6Cl2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h11-12H,4-10,13-20H2,1-3H3;1-3H,4H2,(H,11,12)/b12-11-;

HIDE SMILES / InChI

Molecular Formula C8H6Cl2O3
Molecular Weight 221.037
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H41N
Molecular Weight 295.5462
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:04:50 GMT 2023
Edited
by admin
on Sat Dec 16 09:04:50 GMT 2023
Record UNII
R60HI72X35
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-D N,N-DIMETHYLOLEYLAMINE
Common Name English
2,4-D N,N-DIMETHYLOLEYLAMINE SALT
Common Name English
ACETIC ACID, (2,4-DICHLOROPHENOXY)-, COMPD. WITH (Z)-N,N-DIMETHYL-9-OCTADECEN-1-AMINE (1:1)
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 30020
Created by admin on Sat Dec 16 09:04:50 GMT 2023 , Edited by admin on Sat Dec 16 09:04:50 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID1058422
Created by admin on Sat Dec 16 09:04:50 GMT 2023 , Edited by admin on Sat Dec 16 09:04:50 GMT 2023
PRIMARY
PUBCHEM
20838607
Created by admin on Sat Dec 16 09:04:50 GMT 2023 , Edited by admin on Sat Dec 16 09:04:50 GMT 2023
PRIMARY
FDA UNII
R60HI72X35
Created by admin on Sat Dec 16 09:04:50 GMT 2023 , Edited by admin on Sat Dec 16 09:04:50 GMT 2023
PRIMARY
CAS
53535-36-7
Created by admin on Sat Dec 16 09:04:50 GMT 2023 , Edited by admin on Sat Dec 16 09:04:50 GMT 2023
PRIMARY