Ethyl 8-[3-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-8-oxooctanoate
[CAS# 898749-84-3]

Identification

• Name: Ethyl 8-[3-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-8-oxooctanoate
• Synonyms: Ethyl 8-oxo-8-[3-(3-pyrrolinomethyl)phenyl]octanoate
• Molecular Formula: C₂₁H₂₉NO₃
• Molecular Weight: 343.46
• CAS Registry Number: 898749-84-3
• SMILES: CCOC(=O)CCCCCCC(=O)c2cc(CN1C\C=C/C1)ccc2
• InChI: 1S/C21H29NO3/c1-2-25-21(24)13-6-4-3-5-12-20(23)19-11-9-10-18(16-19)17-22-14-7-8-15-22/h7-11,16H,2-6,12-15,17H2,1H3
• InChIKey: WUXCROYQIJAEIL-UHFFFAOYSA-N

Properties

• Density: 1.079g/cm³ (Cal.)
• Boiling point: 469.721°C at 760 mmHg (Cal.)
• Flash point: 237.879°C (Cal.)
• Refractive index: 1.538 (Cal.)