Ethyl 8-[3-(1-azetidinylmethyl)phenyl]-8-oxooctanoate
[CAS# 898761-20-1]

Identification

• Name: Ethyl 8-[3-(1-azetidinylmethyl)phenyl]-8-oxooctanoate
• Synonyms: ethyl 8-[3-(azetidinomethyl)phenyl]-8-oxooctanoate
• Molecular Formula: C₂₀H₂₉NO₃
• Molecular Weight: 331.45
• CAS Registry Number: 898761-20-1
• SMILES: CCOC(=O)CCCCCCC(=O)c1cccc(c1)CN2CCC2
• InChI: 1S/C20H29NO3/c1-2-24-20(23)12-6-4-3-5-11-19(22)18-10-7-9-17(15-18)16-21-13-8-14-21/h7,9-10,15H,2-6,8,11-14,16H2,1H3
• InChIKey: VXPBKXQLFJGWSS-UHFFFAOYSA-N

Properties

• Density: 1.078g/cm³ (Cal.)
• Boiling point: 449.948°C at 760 mmHg (Cal.)
• Flash point: 225.921°C (Cal.)
• Refractive index: 1.533 (Cal.)