{4-[2-Hydroxy-3-(4-methoxyphenoxy)propyl]-1,4-diazepan-1-yl}(2-thienyl)methanone
[CAS# 646455-98-3]

Identification

• Name: {4-[2-Hydroxy-3-(4-methoxyphenoxy)propyl]-1,4-diazepan-1-yl}(2-thienyl)methanone
• Synonyms: (4-[2-Hydroxy-3-(4-Methoxyphenoxy)Propyl]-1,4-Diazepan-1-Yl)(2-Thienyl)Methanone; MFCD01763477
• Molecular Formula: C₂₀H₂₆N₂O₄S
• Molecular Weight: 390.50
• CAS Registry Number: 646455-98-3
• SMILES: O=C(N2CCN(CC(O)COc1ccc(OC)cc1)CCC2)c3sccc3
• InChI: 1S/C20H26N2O4S/c1-25-17-5-7-18(8-6-17)26-15-16(23)14-21-9-3-10-22(12-11-21)20(24)19-4-2-13-27-19/h2,4-8,13,16,23H,3,9-12,14-15H2,1H3
• InChIKey: AIWPHFPVMKTQKE-UHFFFAOYSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 591.26°C at 760 mmHg (Cal.)
• Flash point: 311.383°C (Cal.)
• Refractive index: 1.587 (Cal.)