Isobutyric Acid 3-(1-Methyl-3-Propyl-3-Pyrrolidinyl)Phenyl Ester
[CAS# 1505-33-5]

Identification

• Name: Isobutyric Acid 3-(1-Methyl-3-Propyl-3-Pyrrolidinyl)Phenyl Ester
• Synonyms: [3-(1-Methyl-3-Propyl-Pyrrolidin-3-Yl)Phenyl] 2-Methylpropanoate; 2-Methylpropanoic Acid [3-(1-Methyl-3-Propyl-3-Pyrrolidinyl)Phenyl] Ester; 2-Methylpropionic Acid [3-(1-Methyl-3-Propyl-Pyrrolidin-3-Yl)Phenyl] Ester
• Molecular Formula: C₁₈H₂₇NO₂
• Molecular Weight: 289.42
• CAS Registry Number: 1505-33-5
• SMILES: C1=C(C=CC=C1OC(C(C)C)=O)C2(CN(CC2)C)CCC
• InChI: 1S/C18H27NO2/c1-5-9-18(10-11-19(4)13-18)15-7-6-8-16(12-15)21-17(20)14(2)3/h6-8,12,14H,5,9-11,13H2,1-4H3
• InChIKey: MJMYFJLOESUOLS-UHFFFAOYSA-N

Properties

• Density: 1.007g/cm³ (Cal.)
• Boiling point: 383.046°C at 760 mmHg (Cal.)
• Flash point: 120.325°C (Cal.)