1-Benzyl-6-(3-(4-(3-Methylphenyl)-1-Piperazinyl)-1-Propenyl)-3,4-Dihydrocarbostyril Oxalate
[CAS# 80834-68-0]

Identification

• Name: 1-Benzyl-6-(3-(4-(3-Methylphenyl)-1-Piperazinyl)-1-Propenyl)-3,4-Dihydrocarbostyril Oxalate
• Synonyms: 6-[(E)-3-[4-(3-Methylphenyl)-1-Piperazinyl]Prop-1-Enyl]-1-(Phenylmethyl)-3,4-Dihydroquinolin-2-One; Oxalic Acid; 1-(Benzyl)-6-[(E)-3-[4-(3-Methylphenyl)Piperazin-1-Yl]Prop-1-Enyl]-3,4-Dihydrocarbostyril; Oxalic Acid; Ethanedioic Acid; 6-[(E)-3-[4-(3-Methylphenyl)Piperazin-1-Yl]Prop-1-Enyl]-1-(Phenylmethyl)-3,4-Dihydroquinolin-2-One
• Molecular Formula: C₃₂H₃₅N₃O₅
• Molecular Weight: 541.65
• CAS Registry Number: 80834-68-0
• SMILES: C1=CC(=CC2=C1N(C(=O)CC2)CC3=CC=CC=C3)\C=C\CN5CCN(C4=CC=CC(=C4)C)CC5.O=C(O)C(=O)O
• InChI: 1S/C30H33N3O.C2H2O4/c1-24-7-5-11-28(21-24)32-19-17-31(18-20-32)16-6-10-25-12-14-29-27(22-25)13-15-30(34)33(29)23-26-8-3-2-4-9-26;3-1(4)2(5)6/h2-12,14,21-22H,13,15-20,23H2,1H3;(H,3,4)(H,5,6)/b10-6+
• InChIKey: FDMPNKGQKVQEBJ-AAGWESIMSA-N

Properties

• Boiling point: 698.9°C at 760 mmHg (Cal.)
• Flash point: 309.8°C (Cal.)