3-Pyridinecarboxylicacid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)- (114311-32-9)

The CAS register number of Imazamox is 114311-32-9. It also can be called as 2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-(methoxymethyl)-3-pyridinecarboxylic acid and the IUPAC name about this chemical is 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl) pyridine-3-carboxylic acid. The molecular formula about this chemical is C₁₅H₁₉N₃O₄ and the molecular weight is 305.33. Classification code about this chemical is Herbicide.

Physical properties about Imazamox are: (1)ACD/LogP: 0.25; (2)ACD/LogD (pH 5.5): -2.4; (3)ACD/LogD (pH 7.4): -2.89; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 81.09Ų; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 79.47 cm³; (14)Molar Volume: 231.4 cm³; (15)Polarizability: 31.5x10^-24cm³; (16)Surface Tension: 46.4 dyne/cm.

Use methoxy propionaldehyde, diethyl oxalate, methyl isopropyl ketone as starting materials, through the following reactions can get this chemical.

When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, please avoid release to the environment. Refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(ncc(c1)COC)/C2=N/C(C(=O)N2)(C(C)C)C
(2)InChI: InChI=1/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)
(3)InChIKey: NUPJIGQFXCQJBK-UHFFFAOYAY
(4)Std. 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)
(5)Std. InChIKey: NUPJIGQFXCQJBK-UHFFFAOYSA-N