2-[[3-(N-Benzylacetylamino)-2,4,6-Triiodophenyl]Oxy]Hexanoic Acid
[CAS# 22275-41-8]

Identification

• Name: 2-[[3-(N-Benzylacetylamino)-2,4,6-Triiodophenyl]Oxy]Hexanoic Acid
• Synonyms: 2-[3-(Acetyl-(Phenylmethyl)Amino)-2,4,6-Triiodo-Phenoxy]Hexanoic Acid; 2-[3-(Acetyl-(Benzyl)Amino)-2,4,6-Triiodo-Phenoxy]Hexanoic Acid; 2-[3-(Ethanoyl-(Phenylmethyl)Amino)-2,4,6-Triiodo-Phenoxy]Hexanoic Acid
• Molecular Formula: C₂₁H₂₂I₃NO₄
• Molecular Weight: 733.12
• CAS Registry Number: 22275-41-8
• SMILES: C1=C(C(=C(C(=C1I)OC(CCCC)C(O)=O)I)N(CC2=CC=CC=C2)C(C)=O)I
• InChI: 1S/C21H22I3NO4/c1-3-4-10-17(21(27)28)29-20-16(23)11-15(22)19(18(20)24)25(13(2)26)12-14-8-6-5-7-9-14/h5-9,11,17H,3-4,10,12H2,1-2H3,(H,27,28)
• InChIKey: IFFFEGDTQJLYGP-UHFFFAOYSA-N

Properties

• Density: 1.984g/cm³ (Cal.)
• Boiling point: 707.296°C at 760 mmHg (Cal.)
• Flash point: 381.559°C (Cal.)