(1S)-1-{2-[4-(4-Methoxyphenyl)-1-Piperazinyl]Ethyl}-N-Methyl-3,4-Dihydro-1H-Isochromene-6-Carboxamide
[CAS# 187665-60-7]

Identification

• Name: (1S)-1-{2-[4-(4-Methoxyphenyl)-1-Piperazinyl]Ethyl}-N-Methyl-3,4-Dihydro-1H-Isochromene-6-Carboxamide
• Synonyms: (S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isochroman-6-carboxylic acid methylamide; (S)-3,4-Dihydro-1-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-N-methyl-1H-2-benzopyran-6-carboxamide; [187665-60-7]
• Molecular Formula: C₂₄H₃₁N₃O₃
• Molecular Weight: 409.52
• CAS Registry Number: 187665-60-7
• SMILES: CNC(=O)C1=CC2=C(C=C1)[C@@H](OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)OC
• InChI: 1S/C24H31N3O3/c1-25-24(28)19-3-8-22-18(17-19)10-16-30-23(22)9-11-26-12-14-27(15-13-26)20-4-6-21(29-2)7-5-20/h3-8,17,23H,9-16H2,1-2H3,(H,25,28)/t23-/m0/s1
• InChIKey: UDLSEQDYARNKTL-QHCPKHFHSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 595.8±50.0°C at 760 mmHg (Cal.)
• Flash point: 314.2±30.1°C (Cal.)
• Refractive index: 1.571 (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 100 mM in ethanol