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

Details

Stereochemistry MIXED
Molecular Formula C9H21NO3.C9H9ClO3
Molecular Weight 391.887
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MCPA TRIISOPROPANOLAMINE

SMILES

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

InChI

InChIKey=OXHMXYPUPTUWEZ-UHFFFAOYSA-N
InChI=1S/C9H9ClO3.C9H21NO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;1-7(11)4-10(5-8(2)12)6-9(3)13/h2-4H,5H2,1H3,(H,11,12);7-9,11-13H,4-6H2,1-3H3

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 C9H21NO3
Molecular Weight 191.2679
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:53:49 GMT 2023
Edited
by admin
on Sat Dec 16 08:53:49 GMT 2023
Record UNII
135JRI07JR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MCPA TRIISOPROPANOLAMINE
Common Name English
ACETIC ACID, (4-CHLORO-2-METHYLPHENOXY)-, COMPD. WITH 1,1',1''-NITRILOTRIS(2-PROPANOL) (1:1)
Common Name English
2-METHYL-4-CHLOROPHENOXYACETIC ACID TRIISOPROPANOLAMINE SALT
Common Name English
2-PROPANOL, 1,1',1''-NITRILOTRIS-, (4-CHLORO-2-METHYLPHENOXY)ACETATE
Systematic Name English
2-METHYL-4-CHLOROPHENOXYACETIC ACID TRIISOPROPANOLAMINE
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 30515
Created by admin on Sat Dec 16 08:53:49 GMT 2023 , Edited by admin on Sat Dec 16 08:53:49 GMT 2023
Code System Code Type Description
PUBCHEM
86278185
Created by admin on Sat Dec 16 08:53:49 GMT 2023 , Edited by admin on Sat Dec 16 08:53:49 GMT 2023
PRIMARY
DAILYMED
135JRI07JR
Created by admin on Sat Dec 16 08:53:49 GMT 2023 , Edited by admin on Sat Dec 16 08:53:49 GMT 2023
PRIMARY
FDA UNII
135JRI07JR
Created by admin on Sat Dec 16 08:53:49 GMT 2023 , Edited by admin on Sat Dec 16 08:53:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID7058381
Created by admin on Sat Dec 16 08:53:49 GMT 2023 , Edited by admin on Sat Dec 16 08:53:49 GMT 2023
PRIMARY
CAS
42459-71-2
Created by admin on Sat Dec 16 08:53:49 GMT 2023 , Edited by admin on Sat Dec 16 08:53:49 GMT 2023
PRIMARY
RXCUI
2379731
Created by admin on Sat Dec 16 08:53:49 GMT 2023 , Edited by admin on Sat Dec 16 08:53:49 GMT 2023
PRIMARY