Nitroxinil eglumine

Base Information

• Chemical Name: Nitroxinil eglumine
• CAS No.: 27917-82-4
• Molecular Formula: C15H22IN3O8
• Molecular Weight: 499.255
• European Community (EC) Number: 248-726-9
• UNII: TF9AXW67XU
• DSSTox Substance ID: DTXSID70950588
• Wikidata: Q27289937
• Mol file: 27917-82-4.mol

Synonyms:Trodax

Chemical Property of Nitroxinil eglumine

Chemical Property:

• Vapor Pressure: 1.2E-11mmHg at 25°C
• Boiling Point: 489.8°C at 760 mmHg
• Flash Point: 235.6°C
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 499.04516
• Heavy Atom Count: 27
• Complexity: 402

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCNCC(C(C(C(CO)O)O)O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C#N
• Isomeric SMILES: CCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C#N

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