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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6Cl2O3.C5H13N
Molecular Weight 308.201
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-D PENTYLAMMONIUM

SMILES

CCCCCN.OC(=O)COC1=C(Cl)C=C(Cl)C=C1

InChI

InChIKey=ZNEARLWPLWTKMU-UHFFFAOYSA-N
InChI=1S/C8H6Cl2O3.C5H13N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-2-3-4-5-6/h1-3H,4H2,(H,11,12);2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C5H13N
Molecular Weight 87.1634
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:53:28 GMT 2023
Edited
by admin
on Sat Dec 16 10:53:28 GMT 2023
Record UNII
N79W32A66Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-D PENTYLAMMONIUM
Common Name English
ACETIC ACID, (2,4-DICHLOROPHENOXY)-, COMPD. WITH 1-PENTANAMINE (1:1)
Common Name English
2,4-D AMYLAMINE SALT
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 30015
Created by admin on Sat Dec 16 10:53:28 GMT 2023 , Edited by admin on Sat Dec 16 10:53:28 GMT 2023
Code System Code Type Description
CAS
53404-33-4
Created by admin on Sat Dec 16 10:53:28 GMT 2023 , Edited by admin on Sat Dec 16 10:53:28 GMT 2023
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FDA UNII
N79W32A66Q
Created by admin on Sat Dec 16 10:53:28 GMT 2023 , Edited by admin on Sat Dec 16 10:53:28 GMT 2023
PRIMARY
PUBCHEM
76970882
Created by admin on Sat Dec 16 10:53:28 GMT 2023 , Edited by admin on Sat Dec 16 10:53:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID10895787
Created by admin on Sat Dec 16 10:53:28 GMT 2023 , Edited by admin on Sat Dec 16 10:53:28 GMT 2023
PRIMARY