Tert-Butyl-[2-Hydroxy-3-[4-(3-Oxobut-1-En-2-Yloxy)Phenoxy]Propyl]Azanium Bromide
[CAS# 106095-27-6]

Identification

• Name: Tert-Butyl-[2-Hydroxy-3-[4-(3-Oxobut-1-En-2-Yloxy)Phenoxy]Propyl]Azanium Bromide
• Synonyms: Tert-Butyl-[2-Hydroxy-3-[4-(1-Methylene-2-Oxo-Propoxy)Phenoxy]Propyl]Ammonium Bromide; Tert-Butyl-[2-Hydroxy-3-[4-(1-Methylene-2-Oxopropoxy)Phenoxy]Propyl]Ammonium Bromide; [3-[4-(1-Acetylethenoxy)Phenoxy]-2-Hydroxy-Propyl]-Tert-Butyl-Ammonium Bromide
• Molecular Formula: C₁₇H₂₆BrNO₄
• Molecular Weight: 388.30
• CAS Registry Number: 106095-27-6
• SMILES: C1=C(OCC(O)C[NH2+]C(C)(C)C)C=CC(=C1)OC(C(=O)C)=C.[Br-]
• InChI: 1S/C17H25NO4.BrH/c1-12(19)13(2)22-16-8-6-15(7-9-16)21-11-14(20)10-18-17(3,4)5;/h6-9,14,18,20H,2,10-11H2,1,3-5H3;1H
• InChIKey: AOOFTCZBYGSNOW-UHFFFAOYSA-N

Properties

• Boiling point: 471.4°C at 760 mmHg (Cal.)
• Flash point: 238.9°C (Cal.)