2,4-D isopropanolamine salt
PubChem CID
61394
Structure
Molecular Formula
Synonyms
- 2,4-D isopropanolamine salt
- 6365-72-6
- 2,4-D isopropanolamine
- ISOPROPANOLAMINE 2,4-DICHLOROPHENOXYACETATE
- 1-aminopropan-2-ol;2-(2,4-dichlorophenoxy)acetic acid
Molecular Weight
296.14 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2005-08-08
- Modify:2025-01-18
Chemical Structure Depiction
3D Conformer of Parent
1-aminopropan-2-ol;2-(2,4-dichlorophenoxy)acetic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C8H6Cl2O3.C3H9NO/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3(5)2-4/h1-3H,4H2,(H,11,12);3,5H,2,4H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CWZNQUKFVXNMGQ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(CN)O.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H15Cl2NO4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 2,4-D isopropanolamine salt
- 6365-72-6
- 2,4-D isopropanolamine
- ISOPROPANOLAMINE 2,4-DICHLOROPHENOXYACETATE
- 1-aminopropan-2-ol;2-(2,4-dichlorophenoxy)acetic acid
- 031R94219K
- Caswell No. 315T
- EPA Pesticide Chemical Code 030024
- 2,4-Dichlorophenoxyacetic acid, isopropanolamine salt
- UNII-031R94219K
- 2-Propanol, 1-amino-, (2,4-dichlorophenoxy)acetate (salt)
- SCHEMBL435655
- DTXSID80897354
- 2,4-D ISOPROPANOL AMINE SALT
- Q27231570
- (2,4-Dichlorophenoxy)acetic acid with 1-aminopropan-2-ol (1:1)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
296.14 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
295.0378133 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
295.0378133 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
92.8 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
209
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Acetic acid, 2-(2,4-dichlorophenoxy)-, compd. with 1-amino-2-propanol (1:1)https://commonchemistry.cas.org/detail?cas_rn=6365-72-6
- ChemIDplus2,4-D isopropanolamine salthttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0006365726ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox(2,4-Dichlorophenoxy)acetic acid with 1-aminopropan-2-ol (1:1)https://comptox.epa.gov/dashboard/DTXSID80897354CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking2,4-D ISOPROPANOLAMINEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/031R94219K
- Wikidata2,4-D isopropanolaminehttps://www.wikidata.org/wiki/Q27231570
- PubChem
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
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