3-[[(Dimethylamino)Methylene]Amino]-3-(2,4,6-Triiodophenyl)Propionic Acid
[CAS# 5587-89-3]

Identification

• Classification: Chemical reagent >> Organic reagent >> Imine, amidine
• Name: 3-[[(Dimethylamino)Methylene]Amino]-3-(2,4,6-Triiodophenyl)Propionic Acid
• Synonyms: 3-[3-(Dimethylaminomethyleneamino)-2,4,6-Triiodo-Phenyl]Propanoic Acid; 3-[3-(Dimethylaminomethyleneamino)-2,4,6-Triiodophenyl]Propanoic Acid; 3-[3-(Dimethylaminomethyleneamino)-2,4,6-Triiodo-Phenyl]Propionic Acid
• Molecular Formula: C₁₂H₁₃I₃N₂O₂
• Molecular Weight: 597.96
• CAS Registry Number: 5587-89-3
• EINECS: 226-992-7
• SMILES: C1=C(C(=C(C(=C1I)CCC(O)=O)I)N=CN(C)C)I
• InChI: 1S/C12H13I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)
• InChIKey: YQNFBOJPTAXAKV-UHFFFAOYSA-N

Properties

• Density: 2.3±0.1g/cm³ (Cal.)
• Boiling point: 579.8±60.0°C at 760 mmHg (Cal.)
• Flash point: 304.4±32.9°C (Cal.)