4-[4-(1-Azetidinylmethyl)benzoyl]benzonitrile
[CAS# 898777-49-6]

Identification

• Name: 4-[4-(1-Azetidinylmethyl)benzoyl]benzonitrile
• Synonyms: 4-azetidinomethyl-4'-cyanobenzophenone
• Molecular Formula: C₁₈H₁₆N₂O
• Molecular Weight: 276.33
• CAS Registry Number: 898777-49-6
• SMILES: N#Cc1ccc(cc1)C(=O)c3ccc(CN2CCC2)cc3
• InChI: 1S/C18H16N2O/c19-12-14-2-6-16(7-3-14)18(21)17-8-4-15(5-9-17)13-20-10-1-11-20/h2-9H,1,10-11,13H2
• InChIKey: XEVRBJGDSHDLSM-UHFFFAOYSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 449.682°C at 760 mmHg (Cal.)
• Flash point: 225.76°C (Cal.)
• Refractive index: 1.636 (Cal.)