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Aminol
CAS: 2008-39-1 | C10H13Cl2NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2008-39-1
Molecular Formula:
C10H13Cl2NO3
Molecular Weight:
266.124 g/mol
Names and Synonyms:
Aminol
2,4-Dichlorophenoxyacetic acid dimethylamine salt
DMA 4 IVM
WEEDestroy AM-40
Base Camp Amine 4
WAM 40
Weedar
2,4-D dimethylammonium salt
Herboxon
Agrisolution
Depitox
Savage
DMA 806BR
Cornox amine
Agro D amine
Luvaram
Aminopielik Standard
Aminopielik Standard 600SL
Aminopielik Standard 4600SL
Amin'a
Amicide
Aminopielek 720
DMA 6
Aminopielik 600SL
Wilbur-Ellis 2,4-D Amine 500
Clean Crop 2,4-D Amine 500
Weedar 64
Amisol
Spritz-Hormin
Shirweed 500
U 46D Fluid
Spraygraze
Dikamin D
Brabant 2,4-D amine
Aminopielik 39
D 50
D 50 (pesticide)
Farmco D 50
Weedar 96
Aminol (herbicide)
Aminol
DMA 4 (pesticide)
DMA 4
Monosan
2,4-D DMA
Formula 40
Phordene
2,4-D amine
Bladex G
2,4-D Amine salt
Hormin
(2,4-Dichlorophenoxy)acetic acid dimethylamine salt
Dimethylammonium (2,4-dichlorophenoxy)acetate
2,4-D dimethylamine
2,4-D dimethylamine salt
(2,4-Dichlorophenoxy)acetic acid dimethylamine
Methanamine, N-methyl-, (2,4-dichlorophenoxy)acetate
Dimethylamine, (2,4-dichlorophenoxy)acetate
Acetic acid, (2,4-dichlorophenoxy)-, salt with Me2NH
Acetic acid, (2,4-dichlorophenoxy)-, compd. with Me2NH
Acetic acid, (2,4-dichlorophenoxy)-, compd. with N-methylmethanamine (1:1)
Acetic acid, (2,4-dichlorophenoxy)-, compd. with dimethylamine (1:1)
Acetic acid, 2-(2,4-dichlorophenoxy)-, compd. with N-methylmethanamine (1:1)
Identifiers:
SMILES:
CNC.O=C(O)COc1ccc(Cl)cc1Cl
InChI:
InChI=1S/C8H6Cl2O3.C2H7N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-2/h1-3H,4H2,(H,11,12);3H,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 266.12 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)COC1=CC=C(Cl)C=C1Cl.N(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C8H6Cl2O3.C2H7N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-2/h1-3H,4H2,(H,11,12);3H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=IUQJDHJVPLLKFL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 85-87 °C None | Legacy Database |
| cas-name | Aminol None | Legacy Database |
| LogP | 2.2923999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 266.124 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 265.027248636 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 16 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 58.56 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 64.57650000000002 | RDKit |
