4-[(4-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-1-Piperazinyl)Sulfonyl]Benzoic Acid
[CAS# 138385-00-9]

Identification

• Name: 4-[(4-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-1-Piperazinyl)Sulfonyl]Benzoic Acid
• Synonyms: 4-((4-(tert-Butoxycarbonyl)piperazinyl)sulfonyl)benzoic acid; 4-(4-(tert-butoxycarbonyl)piperazin-1-ylsulfonyl)benzoic acid; 4-(4-BOC-PIPERAZIN-1-YLSULFONYL)BENZOIC ACID
• Molecular Formula: C₁₆H₂₂N₂O₆S
• Molecular Weight: 370.42
• CAS Registry Number: 138385-00-9
• SMILES: O=S(=O)(c1ccc(cc1)C(O)=O)N2CCN(CC2)C(=O)OC(C)(C)C
• InChI: 1S/C16H22N2O6S/c1-16(2,3)24-15(21)17-8-10-18(11-9-17)25(22,23)13-6-4-12(5-7-13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20)
• InChIKey: BXAHCUDDQZXTCY-UHFFFAOYSA-N

Properties

• Density: 1.344g/cm³ (Cal.)
• Boiling point: 537.323°C at 760 mmHg (Cal.)
• Flash point: 278.763°C (Cal.)
• Refractive index: 1.575 (Cal.)