[4-(3-Methylbenzoyl)piperazin-1-ium-1-yl]acetate
[CAS# 705941-42-0]

Identification

• Name: [4-(3-Methylbenzoyl)piperazin-1-ium-1-yl]acetate
• Synonyms: [4-(3-Methyl-benzoyl)-piperazin-1-yl]-acetic acid; 1-PIPERAZINEACETICACID, 4-(3-METHYLBENZOYL)-; 2-{4-[(3-Methylphenyl)carbonyl]piperazin-1-yl}acetic acid
• Molecular Formula: C₁₄H₁₈N₂O₃
• Molecular Weight: 262.30
• CAS Registry Number: 705941-42-0
• SMILES: O=C(c1cccc(c1)C)N2CC[NH+](CC([O-])=O)CC2
• InChI: 1S/C14H18N2O3/c1-11-3-2-4-12(9-11)14(19)16-7-5-15(6-8-16)10-13(17)18/h2-4,9H,5-8,10H2,1H3,(H,17,18)
• InChIKey: PMAPGDUOMFOLPL-UHFFFAOYSA-N

Properties

• Density: 1.225g/cm³ (Cal.)
• Melting point: 148°C (Expl.)
• Boiling point: 472.523°C at 760 mmHg (Cal.)
• Flash point: 239.574°C (Cal.)
• Refractive index: 1.577 (Cal.)