Propyl docetrizoate

Base Information

• Chemical Name: Propyl docetrizoate
• CAS No.: 5579-08-8
• Molecular Formula: C14H14 I3 N O4
• Molecular Weight: 0
• UNII: 0B62S0B44U
• DSSTox Substance ID: DTXSID70204351
• Nikkaji Number: J7.997I
• Wikidata: Q27236561
• NCI Thesaurus Code: C76637
• ChEMBL ID: CHEMBL2105296
• Mol file: 5579-08-8.mol

Synonyms:Propyl docetrizoate;Pulmidol;5579-08-8;0B62S0B44U;Propyl 3-diacetylamino-2,4,6-triiodobenzoate;UNII-0B62S0B44U;SCHEMBL2110371;Propyl docetrizoate [INN:BAN];CHEMBL2105296;DTXSID70204351;PROPYL DOCETRIZOATE [INN];Q27236561;BENZOIC ACID, 3-(DIACETYLAMINO)-2,4,6-TRIIODO-, PROPYL ESTER

Chemical Property of Propyl docetrizoate

Chemical Property:

• Vapor Pressure: 1.4E-15mmHg at 25°C
• Boiling Point: 625.9°Cat760mmHg
• Flash Point: 332.3°C
• PSA: 63.68000
• Density: 2.196g/cm³
• LogP: 3.96660
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 640.8057
• Heavy Atom Count: 22
• Complexity: 432

Purity/Quality:

95% ^*data from raw suppliers

PROPYL DOCETRIZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C1=C(C(=C(C=C1I)I)N(C(=O)C)C(=O)C)I

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