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Details

Stereochemistry MIXED
Molecular Formula C9H9ClO3.C6H15NO2
Molecular Weight 333.808
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MCPA DIISOPROPANOLAMINE

SMILES

CC(O)CNCC(C)O.CC1=C(OCC(O)=O)C=CC(Cl)=C1

InChI

InChIKey=JDJYRGAUKNQOMA-UHFFFAOYSA-N
InChI=1S/C9H9ClO3.C6H15NO2/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;1-5(8)3-7-4-6(2)9/h2-4H,5H2,1H3,(H,11,12);5-9H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H9ClO3
Molecular Weight 200.619
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H15NO2
Molecular Weight 133.1888
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:45:29 GMT 2023
Edited
by admin
on Sat Dec 16 11:45:29 GMT 2023
Record UNII
7ICO41MS6E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MCPA DIISOPROPANOLAMINE
Common Name English
ACETIC ACID, (4-CHLORO-2-METHYLPHENOXY)-, COMPD. WITH 1,1'-IMINOBIS(2-PROPANOL) (1:1)
Common Name English
2-METHYL-4-CHLOROPHENOXYACETIC ACID DIISOPROPANOLAMINE SALT
Systematic Name English
2-PROPANOL, 1,1'-IMINOBIS-, (4-CHLORO-2-METHYLPHENOXY)ACETATE
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 30514
Created by admin on Sat Dec 16 11:45:29 GMT 2023 , Edited by admin on Sat Dec 16 11:45:29 GMT 2023
Code System Code Type Description
FDA UNII
7ICO41MS6E
Created by admin on Sat Dec 16 11:45:29 GMT 2023 , Edited by admin on Sat Dec 16 11:45:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID2058380
Created by admin on Sat Dec 16 11:45:29 GMT 2023 , Edited by admin on Sat Dec 16 11:45:29 GMT 2023
PRIMARY
PUBCHEM
121494083
Created by admin on Sat Dec 16 11:45:29 GMT 2023 , Edited by admin on Sat Dec 16 11:45:29 GMT 2023
PRIMARY
CAS
42459-70-1
Created by admin on Sat Dec 16 11:45:29 GMT 2023 , Edited by admin on Sat Dec 16 11:45:29 GMT 2023
PRIMARY