(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)(3-thienyl)acetic acid
[CAS# 885274-75-9]

Identification

• Name: (4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)(3-thienyl)acetic acid
• Synonyms: [4-(tert-butoxycarbonyl)piperazin-1-yl](3-thienyl)acetic acid; 2-(4-Boc-piperazinyl)-2-(3-thienyl)acetic acid; 2-(4-BOC-PIPERAZINYL)-2-(3-THIENYL)ACETICACID
• Molecular Formula: C₁₅H₂₂N₂O₄S
• Molecular Weight: 326.41
• CAS Registry Number: 885274-75-9
• SMILES: O=C(OC(C)(C)C)N2CCN(C(c1ccsc1)C(=O)O)CC2
• InChI: 1S/C15H22N2O4S/c1-15(2,3)21-14(20)17-7-5-16(6-8-17)12(13(18)19)11-4-9-22-10-11/h4,9-10,12H,5-8H2,1-3H3,(H,18,19)
• InChIKey: XNEYUEWSPCASNM-UHFFFAOYSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 448.26°C at 760 mmHg (Cal.)
• Flash point: 224.9°C (Cal.)
• Refractive index: 1.573 (Cal.)