3-Iodobenzoylacebutolol
[CAS# 67014-20-4]

Identification

• Name: 3-Iodobenzoylacebutolol
• Synonyms: N-[3-Acetyl-4-[2-Hydroxy-3-(Isopropylamino)Propoxy]Phenyl]-3-Iodo-Benzamide; N-[3-Acetyl-4-[2-Hydroxy-3-(Isopropylamino)Propoxy]Phenyl]-3-Iodobenzamide; N-[3-Ethanoyl-4-[2-Hydroxy-3-(Propan-2-Ylamino)Propoxy]Phenyl]-3-Iodo-Benzamide
• Molecular Formula: C₂₁H₂₅IN₂O₄
• Molecular Weight: 496.34
• CAS Registry Number: 67014-20-4
• SMILES: C1=C(C=CC=C1C(=O)NC2=CC=C(C(=C2)C(=O)C)OCC(CNC(C)C)O)I
• InChI: 1S/C21H25IN2O4/c1-13(2)23-11-18(26)12-28-20-8-7-17(10-19(20)14(3)25)24-21(27)15-5-4-6-16(22)9-15/h4-10,13,18,23,26H,11-12H2,1-3H3,(H,24,27)
• InChIKey: INNWGBHHCCXSGM-UHFFFAOYSA-N

Properties

• Density: 1.479g/cm³ (Cal.)
• Boiling point: 554.402°C at 760 mmHg (Cal.)
• Flash point: 289.092°C (Cal.)