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Imazamox
CAS: 114311-32-9 | C15H19N3O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
114311-32-9
Molecular Formula:
C15H19N3O4
Molecular Mass:
305.33 g/mol
Names and Synonyms:
Imazamox
3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-
2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-3-pyridinecarboxylic acid
CL 299263
Imazamox
AC 299263
Raptor
Raptor (herbicide)
Pulsar
(±)-Imazamox
5-Methoxymethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid
Sweeper
Sweeper 70DG
2-[4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinic acid
Pulsar (herbicide)
Pulsar 40
Global
(R,S)-Imazamox
Identifiers:
SMILES:
COCc1cnc(C2=NC(=O)C(C)(C(C)C)N2)c(C(=O)O)c1
InChI:
InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)
Key Properties
Melting Point
166 °C
CAS Common Chemistry
Density
1.39 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 305.33 g/mol | CAS Common Chemistry |
| 305.33400000000006 g/mol | RDKit | |
| 305.137556088 g/mol | RDKit | |
| Density | 1.39 g/cm³ | CAS Common Chemistry |
| 1.39 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)C=1C=C(C=NC1C2=NC(=O)C(N2)(C)C(C)C)COC | CAS Common Chemistry |
| InChI | InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21) | CAS Common Chemistry |
| InChI Key | InChIKey=NUPJIGQFXCQJBK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 166 °C | CAS Common Chemistry |
| Name | Imazamox | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 100.88000000000001 Ų | RDKit |
| LogP | 1.2173000000000003 | RDKit |
| Molar Refractivity | 79.83200000000004 | RDKit |
