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Basic Information
CAS No.: 81335-47-9
Name: Imazaquin ammonium
Molecular Structure:
Molecular Structure of 81335-47-9 (Imazaquin ammonium)
Formula: C17H20N4O3
Molecular Weight: 328.37
Synonyms: 3-Quinolinecarboxylicacid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-,monoammonium salt (9CI);Imazaquin ammonium salt;
Density: 1.35 g/cm3
Melting Point: 219-224°C
Boiling Point: 476.8 °C at 760 mmHg
Flash Point: 242.1 °C
PSA: 94.48000
LogP: 1.03000
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Chemistry

Molecular Structure of Imazaquin ammonium (CAS NO.81335-47-9):

IUPAC Name: azane; 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid 
Empirical Formula: C17H20N4O3
Molecular Weight: 328.3657
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 71.86Å2
Flash Point: 267.5 °C
Enthalpy of Vaporization: 83.31 kJ/mol
Boiling Point: 518.8 °C at 760 mmHg
Vapour Pressure: 1.38E-11 mmHg at 25°C
Melting point: 219-224°C
Classification Code: Herbicide
InChI
InChI=1/C17H17N3O3.H3N/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13;/h4-9H,1-3H3,(H,21,22)(H,19,20,23);1H3
Smiles
C1(=N[C@@](C(C)C)(C)C(N1)=O)c1c(cc2c(n1)cccc2)C(=O)O.N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 245, 1999.
rat LD50 oral > 5gm/kg (5000mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 245, 1999.
rat LD50 skin > 2gm/kg (2000mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 245, 1999.

Specification

 Imazaquin ammonium , with CAS number of 81335-47-9, can be called 3-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid monoammonium salt ; Ammonium imazaquin ; Imazaquin, monoammonium salt ; Scepter .