1-Phenethyl-3-Piperidinemethanol (3,4,5-Trimethoxybenzoate)
[CAS# 67361-18-6]

Identification

• Name: 1-Phenethyl-3-Piperidinemethanol (3,4,5-Trimethoxybenzoate)
• Synonyms: [1-(2-Phenylethyl)-3-Piperidyl]Methyl 3,4,5-Trimethoxybenzoate; 3,4,5-Trimethoxybenzoic Acid [1-(2-Phenylethyl)-3-Piperidinyl]Methyl Ester; 3,4,5-Trimethoxybenzoic Acid [1-(2-Phenylethyl)-3-Piperidyl]Methyl Ester
• Molecular Formula: C₂₄H₃₁NO₅
• Molecular Weight: 413.51
• CAS Registry Number: 67361-18-6
• SMILES: C1=C(C(=C(C=C1C(=O)OCC2CN(CCC2)CCC3=CC=CC=C3)OC)OC)OC
• InChI: 1S/C24H31NO5/c1-27-21-14-20(15-22(28-2)23(21)29-3)24(26)30-17-19-10-7-12-25(16-19)13-11-18-8-5-4-6-9-18/h4-6,8-9,14-15,19H,7,10-13,16-17H2,1-3H3
• InChIKey: PNYCDPTVSGVIRY-UHFFFAOYSA-N

Properties

• Density: 1.114g/cm³ (Cal.)
• Boiling point: 498.665°C at 760 mmHg (Cal.)
• Flash point: 255.384°C (Cal.)