Iocetamic acid

Base Information

• Chemical Name: Iocetamic acid
• CAS No.: 16034-77-8
• Molecular Formula: C12H13 I3 N2 O3
• Molecular Weight: 613.96
• Hs Code.: 2924299090
• European Community (EC) Number: 240-173-1
• UNII: FA675Q0E3E
• DSSTox Substance ID: DTXSID2023149
• Nikkaji Number: J9.024G
• Wikipedia: Iocetamic_acid
• Wikidata: Q6062203
• NCI Thesaurus Code: C65927
• Metabolomics Workbench ID: 152378
• ChEMBL ID: CHEMBL1200770
• Mol file: 16034-77-8.mol

Synonyms:Cholebrine;iocetamic acid;N-acetyl-N-(3-amino-2,4,6-triiodophenyl)-2-methyl-beta-alanine

Chemical Property of Iocetamic acid

Chemical Property:

• Vapor Pressure: 3.21E-18mmHg at 25°C
• Melting Point: 224-225° (NL 6515305); mp range 191-212° (Korver); Consists of 2 isomers having mps 232° and 200-201°
• Refractive Index: 1.7400 (estimate)
• Boiling Point: 658.2°C at 760 mmHg
• PKA: 4.0(at 25℃)
• Flash Point: 351.9°C
• PSA: 83.63000
• Density: 2.416g/cm³
• LogP: 3.73740
• Water Solubility.: 5.286g/L(37 oC)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 613.8060
• Heavy Atom Count: 20
• Complexity: 383

Purity/Quality:

98%Min ^*data from raw suppliers

IOCETAMIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Low toxicity by ingestion.
• Hazard Codes: Low toxicity by ingestion.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN(C1=C(C=C(C(=C1I)N)I)I)C(=O)C)C(=O)O
• Uses: Diagnostic aid (radiopaque medium).
• Therapeutic Function: Diagnostic aid

Technology Process of Iocetamic acid

There total 1 articles about Iocetamic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ iocetamic acid (16034-77-8)

Guidance literature:

β-(m-Nitro-phenyl-amino)-isobuttersaeure-m-nitro-anilid, 1.) H2, (Raney-Ni), 2.) NaICl2;