Ethyl 7-[3-(1-azetidinylmethyl)phenyl]-7-oxoheptanoate
[CAS# 898761-17-6]

Identification

• Name: Ethyl 7-[3-(1-azetidinylmethyl)phenyl]-7-oxoheptanoate
• Synonyms: ethyl 7-[3-(azetidinomethyl)phenyl]-7-oxoheptanoate
• Molecular Formula: C₁₉H₂₇NO₃
• Molecular Weight: 317.42
• CAS Registry Number: 898761-17-6
• SMILES: CCOC(=O)CCCCCC(=O)c1cccc(c1)CN2CCC2
• InChI: 1S/C19H27NO3/c1-2-23-19(22)11-5-3-4-10-18(21)17-9-6-8-16(14-17)15-20-12-7-13-20/h6,8-9,14H,2-5,7,10-13,15H2,1H3
• InChIKey: VPCTYBGJJPQUKV-UHFFFAOYSA-N

Properties

• Density: 1.091g/cm³ (Cal.)
• Boiling point: 437.133°C at 760 mmHg (Cal.)
• Flash point: 218.171°C (Cal.)
• Refractive index: 1.536 (Cal.)