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Molecule
Imazamox
CAS: 114311-32-9 · C15H19N3O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 114311-32-9
- Molecular Formula
- C15H19N3O4
- Molecular Mass
- 305.33 g/mol
Identifiers
CAS Registry Number
114311-32-9
SMILES
COCc1cnc(C2=NC(=O)C(C)(C(C)C)N2)c(C(=O)O)c1
InChI Key
NUPJIGQFXCQJBK-UHFFFAOYSA-N
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)
Names and Synonyms
- Imazamox Synonym
- 3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)- Synonym
- 2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-3-pyridinecarboxylic acid Synonym
- CL 299263 Synonym
- Imazamox Synonym
- AC 299263 Synonym
- Raptor Synonym
- Raptor (herbicide) Synonym
- Pulsar Synonym
- (±)-Imazamox Synonym
- 5-Methoxymethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid Synonym
- Sweeper Synonym
- Sweeper 70DG Synonym
- 2-[4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinic acid Synonym
- Pulsar (herbicide) Synonym
- Pulsar 40 Synonym
- Global Synonym
- (R,S)-Imazamox Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 305.33 g/mol | CAS Common Chemistry |
| 305.33400000000006 g/mol | RDKit | |
| 305.334 g/mol | RDKit | |
| Density | 1.39 g/cm³ | CAS Common Chemistry |
| 1.39 g/cm3 @ 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 |
| 100.88 Ų | RDKit | |
| 100.35 Ų | chempirical lib | |
| LogP | 1.2173000000000003 | RDKit |
| 1.2173 | RDKit | |
| Molar Refractivity | 79.83200000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4667 | RDKit |
| 0.47 | chempirical lib | |
| Exact Mass | 305.137556088 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 305.33 g/mol; density = 1.390 g/mL. Edit any field — others recompute live.
