Methyl N-(3-Amino-2,4,6-Triiodobenzoyl)-N-Phenyl-beta-Alaninate
[CAS# 51934-66-8]

Identification

• Name: Methyl N-(3-Amino-2,4,6-Triiodobenzoyl)-N-Phenyl-beta-Alaninate
• Synonyms: Methyl 3-[(3-Amino-2,4,6-Triiodo-Benzoyl)-Phenyl-Amino]Propanoate; 3-[[(3-Amino-2,4,6-Triiodophenyl)-Oxomethyl]-Phenylamino]Propanoic Acid Methyl Ester; 3-[(3-Amino-2,4,6-Triiodo-Benzoyl)-Phenyl-Amino]Propionic Acid Methyl Ester
• Molecular Formula: C₁₇H₁₅I₃N₂O₃
• Molecular Weight: 676.03
• CAS Registry Number: 51934-66-8
• EINECS: 257-525-5
• SMILES: C1=C(C(=C(C(=C1I)C(N(C2=CC=CC=C2)CCC(OC)=O)=O)I)N)I
• InChI: 1S/C17H15I3N2O3/c1-25-13(23)7-8-22(10-5-3-2-4-6-10)17(24)14-11(18)9-12(19)16(21)15(14)20/h2-6,9H,7-8,21H2,1H3
• InChIKey: FXFJGDGAESIFGG-UHFFFAOYSA-N

Properties

• Density: 2.192g/cm³ (Cal.)
• Boiling point: 658.06°C at 760 mmHg (Cal.)
• Flash point: 351.782°C (Cal.)