5-[(3-Amino-2,4,6-Triiodophenyl)-Ethylamino]-5-Oxopentanoic Acid
[CAS# 37934-61-5]

Identification

• Name: 5-[(3-Amino-2,4,6-Triiodophenyl)-Ethylamino]-5-Oxopentanoic Acid
• Synonyms: 5-[(3-Amino-2,4,6-Triiodo-Phenyl)-Ethyl-Amino]-5-Oxo-Pentanoic Acid; 5-[(3-Amino-2,4,6-Triiodo-Phenyl)-Ethyl-Amino]-5-Keto-Valeric Acid; 3'-Amino-N-Ethyl-2',4',6'-Triiodo-Glutaranilic Acid
• Molecular Formula: C₁₃H₁₅I₃N₂O₃
• Molecular Weight: 627.99
• CAS Registry Number: 37934-61-5
• SMILES: C1=C(C(=C(C(=C1I)N(C(CCCC(=O)O)=O)CC)I)N)I
• InChI: 1S/C13H15I3N2O3/c1-2-18(9(19)4-3-5-10(20)21)13-8(15)6-7(14)12(17)11(13)16/h6H,2-5,17H2,1H3,(H,20,21)
• InChIKey: MLVGYCGFWLBUCR-UHFFFAOYSA-N

Properties

• Density: 2.324g/cm³ (Cal.)
• Boiling point: 667.693°C at 760 mmHg (Cal.)
• Flash point: 357.608°C (Cal.)