5,5-diphenyl-3-sodioimidazolidine-2,4-dione

• ChemBase ID: 103364
• Molecular Formular: C15H11N2NaO2
• Molecular Mass: 274.24981
• Monoisotopic Mass: 274.07182188
• SMILES: [Na]N1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
• Canonical SMILES: [Na]N1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);/q;+1/p-1
• InChIKey: FJPYVLNWWICYDW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-diphenyl-3-sodioimidazolidine-2,4-dione
• IUPAC Traditional name: 5,5-diphenyl-3-sodioimidazolidine-2,4-dione
• Synonyms: 5,5-Diphenylhydantoin sodium salt; Dilantin sodium; Diphantoine sodium; 5,5-Diphenyl-2,4-imidazolidinedione monosodium salt; Phenytoin; 5,5-DIPHENYLHYDANTOIN; 5,5-联苯基乙内酰脲; 苯妥英; 5,5-二苯基海因 钠盐

Database IDs

• CAS Number: 630-93-3
• EC Number: 211-148-2
• MDL Number: MFCD00069674
• PubChem SID: 162090674; 24277707
• PubChem CID: 657302

CALCULATED PROPERTIES

• Acid pKa: 10.558625
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1035962
• LogD (pH = 7.4): 1.1033008
• Log P: 1.1036
• Molar Refractivity: 69.3823 cm^3
• Polarizability: 28.770535 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• RTECS: MU1400000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• Hazard Class: 6.1
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: R:22-45
• Safety Statements: S:28-36/37/39-45-53
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02151503

Sodium Salt
Crystalline
Purity: 99%