6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1)
[CAS# 77563-06-5]

Identification

• Name: 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-ethoxybenzothiazole oxalate hydrate (2:4:1)
• Synonyms: 2-Ethoxy-N-[1-Methyl-2-[4-(2-Phenylethyl)Piperazin-1-Yl]Ethyl]-1,3-Benzothiazol-6-Amine; Oxalic Acid; 2-Ethoxy-N-[1-Methyl-2-[4-(2-Phenylethyl)-1-Piperazinyl]Ethyl]-1,3-Benzothiazol-6-Amine; Oxalic Acid; (2-Ethoxy-1,3-Benzothiazol-6-Yl)-[1-Methyl-2-[4-(2-Phenylethyl)Piperazin-1-Yl]Ethyl]Amine; Oxalic Acid
• Molecular Formula: C₂₈H₃₆N₄O₉S
• Molecular Weight: 604.67
• CAS Registry Number: 77563-06-5
• SMILES: C2=C1SC(=NC1=CC=C2NC(CN3CCN(CC3)CCC4=CC=CC=C4)C)OCC.O=C(O)C(=O)O.O=C(O)C(=O)O
• InChI: 1S/C24H32N4OS.2C2H2O4/c1-3-29-24-26-22-10-9-21(17-23(22)30-24)25-19(2)18-28-15-13-27(14-16-28)12-11-20-7-5-4-6-8-20;2*3-1(4)2(5)6/h4-10,17,19,25H,3,11-16,18H2,1-2H3;2*(H,3,4)(H,5,6)
• InChIKey: DMUHTEIKNSMKHO-UHFFFAOYSA-N

Properties

• Boiling point: 578.5°C at 760 mmHg (Cal.)
• Flash point: 303.6°C (Cal.)