Imazaquin, monoammonium salt
Basic information
- CAS
81335-47-9- Standard SMILES
CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O.N- InChIKey
VJBCNMFKFZIXHC-UHFFFAOYSA-N- Molecular formula
- C17H20N4O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.15354051
Overview
See also: Imazaquin ammonium salt (preferred).
Names & identifiers
- Preferred name
- Imazaquin, monoammonium salt
- IUPAC
- azane;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid
- English name
- Imazaquin ammonium
- Molecular formula
- C17H20N4O3
- Molecular weight
- 328.37
Names & synonyms
Imazaquin-ammonium [ISO]Imazaquin, monoammonium salt85896-61-3UNII-VBU33L1TZKEPA Pesticide Chemical Code 128848Imazaquinammonium3-Quinolinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-, monoammonium salt3-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid monoammonium saltSCHEMBL145881SCHEMBL32298983-Quinolinecarboxylic acid, 3-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-, monoammonium saltQ27291752
Show more names
ammonium imazaquinImazaquin ammonium2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-imidazol-2-yl)-3-quinolinecarboxylic acid monoammonium salt
Database identifiers
- CAS
81335-47-9- PubChem CID
- 93465
Properties
Computed structural properties
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- Melting point
- 219 · 219-224°C
- FDA UNII
- 33 L1TZK · VBU33L1TZK
- EPA Substance Registry System
- Imazaquin, monoammonium salt (81335-47-9)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…