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Details

Stereochemistry RACEMIC
Molecular Formula C9H9ClO3.C3H9NO
Molecular Weight 275.729
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MCPA-ISOPROPANOLAMINE

SMILES

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

InChI

InChIKey=IDOQXAKYOAYGJY-UHFFFAOYSA-N
InChI=1S/C9H9ClO3.C3H9NO/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;1-3(5)2-4/h2-4H,5H2,1H3,(H,11,12);3,5H,2,4H2,1H3

HIDE SMILES / InChI

Molecular Formula C3H9NO
Molecular Weight 75.1097
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:36:44 GMT 2023
Edited
by admin
on Sat Dec 16 11:36:44 GMT 2023
Record UNII
543M1BL8RU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MCPA-ISOPROPANOLAMINE
Common Name English
2-METHYL-4-CHLOROPHENOXYACETIC ACID ISOPROPANOLAMINE SALT
Systematic Name English
2-PROPANOL, 1-AMINO-, (4-CHLORO-2-METHYLPHENOXY)ACETATE
Systematic Name English
ACETIC ACID, (4-CHLORO-2-METHYLPHENOXY)-, COMPD. WITH 1-AMINO-2-PROPANOL (1:1)
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 30513
Created by admin on Sat Dec 16 11:36:44 GMT 2023 , Edited by admin on Sat Dec 16 11:36:44 GMT 2023
Code System Code Type Description
PUBCHEM
121494082
Created by admin on Sat Dec 16 11:36:44 GMT 2023 , Edited by admin on Sat Dec 16 11:36:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID3058379
Created by admin on Sat Dec 16 11:36:44 GMT 2023 , Edited by admin on Sat Dec 16 11:36:44 GMT 2023
PRIMARY
CAS
42459-69-8
Created by admin on Sat Dec 16 11:36:44 GMT 2023 , Edited by admin on Sat Dec 16 11:36:44 GMT 2023
PRIMARY
FDA UNII
543M1BL8RU
Created by admin on Sat Dec 16 11:36:44 GMT 2023 , Edited by admin on Sat Dec 16 11:36:44 GMT 2023
PRIMARY