2-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)sulfonyl]benzoic acid
[CAS# 849035-97-8]

Identification

• Name: 2-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)sulfonyl]benzoic acid
• Synonyms: 2-((1-(tert-butoxycarbonyl)piperidin-4-yl)sulfonyl)benzoic acid; 2-{[(benzylamino)carbonyl]amino}-3-methylbutanoic acid; 2-{[(BENZYLOXY)CARBONYL]AMINO}-2-(TRIFLUOROMETHYL)HEX-5-ENOIC ACID
• Molecular Formula: C₁₇H₂₃NO₆S
• Molecular Weight: 369.43
• CAS Registry Number: 849035-97-8
• SMILES: O=C(O)c1ccccc1S(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2
• InChI: 1S/C17H23NO6S/c1-17(2,3)24-16(21)18-10-8-12(9-11-18)25(22,23)14-7-5-4-6-13(14)15(19)20/h4-7,12H,8-11H2,1-3H3,(H,19,20)
• InChIKey: OFHZVQJKTJTTOH-UHFFFAOYSA-N

Properties

• Density: 1.299g/cm³ (Cal.)
• Melting point: 191-193°C (Expl.)
• Boiling point: 564.893°C at 760 mmHg (Cal.)
• Flash point: 295.437°C (Cal.)
• Refractive index: 1.559 (Cal.)