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Imazethapyr ammonium Specification

The CAS register number of Imazethapyr ammonium is 101917-66-2. It also can be called as 2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-3-pyridinecarboxylic acid ammonium salt and the IUPAC name about this chemical is azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate. The molecular formula about this chemical is C15H18N3O3.NH4 and molecular weight is 306.36.

Physical properties about Imazethapyr ammonium are: (1)ACD/LogP: 1.51 ; (2)#H bond acceptors: 6; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 82.86Å2; (6)Flash Point: 250.2 °C; (7)Enthalpy of Vaporization: 79.67 kJ/mol; (8)Boiling Point: 490 °C at 760 mmHg; (9)Vapour Pressure: 2.03E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)c1c(ncc(c1)CC)/C2=N/C(C(=O)N2)(C(C)C)C.[NH4+]
(2)InChI: InChI=1/C15H19N3O3.H3N/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);1H3
(3)InChIKey: QRSHQJLLXXEYPS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C15H19N3O3.H3N/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);1H3
(5)Std. InChIKey: QRSHQJLLXXEYPS-UHFFFAOYSA-N

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