Avapyrazone
[CAS# 13987-03-6]

Identification

• Name: Avapyrazone
• Synonyms: Disodium; [(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)-Methyl-Amino]Methanesulfonate; [(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)-Methyl-Amino]Methanesulfonate; Isopentyl 2-(2-Diethylaminoethylamino)-2-Phenyl-Acetate; Disodium; 2-(2-Diethylaminoethylamino)-2-Phenylacetic Acid Isopentyl Ester
• Molecular Formula: C₄₅H₆₄N₈Na₂O₁₀S₂
• Molecular Weight: 987.15
• CAS Registry Number: 13987-03-6
• SMILES: C2=C(N1N(C(=C(N(C[S]([O-])(=O)=O)C)C1=O)C)C)C=CC=C2.C4=C(N3N(C(=C(N(C[S]([O-])(=O)=O)C)C3=O)C)C)C=CC=C4.[Na+].[Na+].C(NC(C5=CC=CC=C5)C(OCCC(C)C)=O)CN(CC)CC
• InChI: 1S/C19H32N2O2.2C13H17N3O4S.2Na/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4;2*1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h7-11,16,18,20H,5-6,12-15H2,1-4H3;2*4-8H,9H2,1-3H3,(H,18,19,20);;/q;;;2*+1/p-2
• InChIKey: BDLIUDMKOFUDEO-UHFFFAOYSA-L

Properties

• Boiling point: 408.4°C at 760 mmHg (Cal.)
• Flash point: 200.8°C (Cal.)