(1-((2,3-Dihydro-1,4-benzodioxin-2-yl)methyl)-4-piperidinyl)(4-hydroxyphenyl)-Methanone 3-pyridinecarboxylate
[CAS# 76335-58-5]

Identification

• Name: (1-((2,3-Dihydro-1,4-benzodioxin-2-yl)methyl)-4-piperidinyl)(4-hydroxyphenyl)-Methanone 3-pyridinecarboxylate
• Synonyms: [1-(2,3-Dihydro-1,4-Benzodioxin-2-Ylmethyl)-4-Piperidyl]-(4-Hydroxyphenyl)Methanone; Nicotinic Acid; [1-(2,3-Dihydro-1,4-Benzodioxin-2-Ylmethyl)-4-Piperidinyl]-(4-Hydroxyphenyl)Methanone; Nicotinic Acid; Methanone, (1-((2,3-Dihydro-1,4-Benzodioxin-2-Yl)Methyl)-4-Piperidinyl)(4-Hydroxyphenyl)-, 3-Pyridinecarboxylate (1:1) (Salt)
• Molecular Formula: C₂₇H₂₈N₂O₆
• Molecular Weight: 476.53
• CAS Registry Number: 76335-58-5
• SMILES: C4=C3OC(CN2CCC(C(=O)C1=CC=C(O)C=C1)CC2)COC3=CC=C4.C5=NC=CC=C5C(=O)O
• InChI: 1S/C21H23NO4.C6H5NO2/c23-17-7-5-15(6-8-17)21(24)16-9-11-22(12-10-16)13-18-14-25-19-3-1-2-4-20(19)26-18;8-6(9)5-2-1-3-7-4-5/h1-8,16,18,23H,9-14H2;1-4H,(H,8,9)
• InChIKey: XXLOXEANPRDJSS-UHFFFAOYSA-N

Properties

• Boiling point: 538.9°C at 760 mmHg (Cal.)
• Flash point: 279.7°C (Cal.)