Acetic Acid 3-[1-(4-Acetoxyphenethyl)-3-Propyl-3-Pyrrolidinyl]Phenyl Ester
[CAS# 27452-90-0]

Identification

• Name: Acetic Acid 3-[1-(4-Acetoxyphenethyl)-3-Propyl-3-Pyrrolidinyl]Phenyl Ester
• Synonyms: [3-[1-[2-(4-Acetoxyphenyl)Ethyl]-3-Propyl-Pyrrolidin-3-Yl]Phenyl] Acetate; Acetic Acid [3-[1-[2-(4-Acetoxyphenyl)Ethyl]-3-Propyl-3-Pyrrolidinyl]Phenyl] Ester; Acetic Acid [3-[1-[2-(4-Acetoxyphenyl)Ethyl]-3-Propyl-Pyrrolidin-3-Yl]Phenyl] Ester
• Molecular Formula: C₂₅H₃₁NO₄
• Molecular Weight: 409.52
• CAS Registry Number: 27452-90-0
• SMILES: C1=C(OC(=O)C)C=CC=C1C2(CN(CC2)CCC3=CC=C(OC(=O)C)C=C3)CCC
• InChI: 1S/C25H31NO4/c1-4-13-25(22-6-5-7-24(17-22)30-20(3)28)14-16-26(18-25)15-12-21-8-10-23(11-9-21)29-19(2)27/h5-11,17H,4,12-16,18H2,1-3H3
• InChIKey: TUZIOXPOHMWNKY-UHFFFAOYSA-N

Properties

• Density: 1.107g/cm³ (Cal.)
• Boiling point: 527.699°C at 760 mmHg (Cal.)
• Flash point: 272.943°C (Cal.)