3-[4-(1-Azetidinylmethyl)benzoyl]benzonitrile
[CAS# 898777-46-3]

Identification

• Name: 3-[4-(1-Azetidinylmethyl)benzoyl]benzonitrile
• Synonyms: 4'-azetidinomethyl-3-cyanobenzophenone
• Molecular Formula: C₁₈H₁₆N₂O
• Molecular Weight: 276.33
• CAS Registry Number: 898777-46-3
• SMILES: N#Cc1cccc(c1)C(=O)c3ccc(CN2CCC2)cc3
• InChI: 1S/C18H16N2O/c19-12-15-3-1-4-17(11-15)18(21)16-7-5-14(6-8-16)13-20-9-2-10-20/h1,3-8,11H,2,9-10,13H2
• InChIKey: AKNIRVPDJPUYET-UHFFFAOYSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 440.401°C at 760 mmHg (Cal.)
• Flash point: 220.147°C (Cal.)
• Refractive index: 1.636 (Cal.)