3-((Aminoacetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodobenzoic acid

Base Information

• Chemical Name: 3-((Aminoacetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodobenzoic acid
• CAS No.: 59017-39-9
• Molecular Formula: C12H12 I3 N3 O5
• Molecular Weight: 658.95419
• European Community (EC) Number: 261-559-6
• DSSTox Substance ID: DTXSID20207776
• Nikkaji Number: J308.591K
• Wikidata: Q83081767
• Mol file: 59017-39-9.mol

Synonyms:59017-39-9;3-((Aminoacetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodobenzoic acid;EINECS 261-559-6;3-[(AMINOACETYL)AMINO]-5-[[(2-HYDROXYETHYL)AMINO]CARBONYL]-2,4,6-TRIIODOBENZOIC ACID;SCHEMBL8610004;DTXSID20207776;C12H12I3N3O5;C12-H12-I3-N3-O5;W-111164

Chemical Property of 3-((Aminoacetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodobenzoic acid

Chemical Property:

• Vapor Pressure: 7.6E-16mmHg at 25°C
• Boiling Point: 612.3°C at 760 mmHg
• Flash Point: 324.1°C
• PSA: 148.73000
• Density: 2.541g/cm³
• LogP: 2.74250
• XLogP3: -2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 658.7911
• Heavy Atom Count: 23
• Complexity: 467

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)CN)I)C(=O)O)I