Ethyl 2-[(3-Amino-2,4,6-Triiodo-Phenyl)Methyl]Butanoate
[CAS# 100850-30-4]

Identification

• Name: Ethyl 2-[(3-Amino-2,4,6-Triiodo-Phenyl)Methyl]Butanoate
• Synonyms: Ethyl 2-[(3-Amino-2,4,6-Triiodo-Phenyl)Methyl]Butanoate; 2-[(3-Amino-2,4,6-Triiodophenyl)Methyl]Butanoic Acid Ethyl Ester; 2-(3-Amino-2,4,6-Triiodo-Benzyl)Butyric Acid Ethyl Ester
• Molecular Formula: C₁₃H₁₆I₃NO₂
• Molecular Weight: 598.99
• CAS Registry Number: 100850-30-4
• SMILES: C1=C(I)C(=C(I)C(=C1I)CC(C(OCC)=O)CC)N
• InChI: 1S/C13H16I3NO2/c1-3-7(13(18)19-4-2)5-8-9(14)6-10(15)12(17)11(8)16/h6-7H,3-5,17H2,1-2H3
• InChIKey: OBQUJIRCCAHNMD-UHFFFAOYSA-N

Properties

• Density: 2.161g/cm³ (Cal.)
• Boiling point: 497.737°C at 760 mmHg (Cal.)
• Flash point: 254.823°C (Cal.)