1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione

• ChemBase ID: 798575
• Molecular Formular: C9H16N2O4
• Molecular Mass: 216.23434
• Monoisotopic Mass: 216.111007
• SMILES: O=C1C(N(C(=O)N1CCO)CCO)(C)C
• Canonical SMILES: OCCN1C(=O)N(C(C1=O)(C)C)CCO
• InChI: InChI=1S/C9H16N2O4/c1-9(2)7(14)10(3-5-12)8(15)11(9)4-6-13/h12-13H,3-6H2,1-2H3
• InChIKey: ATIAIEWDRRJGSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione
• IUPAC Traditional name: 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione
• Synonyms: 1,3-bis(2-hydroxyethyl)-5,5-dimethylhydantoin

Database IDs

• CAS Number: 26850-24-8

CALCULATED PROPERTIES

• Acid pKa: 15.259835
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3815422
• LogD (pH = 7.4): -1.3815422
• Log P: -1.3815422
• Molar Refractivity: 52.6313 cm^3
• Polarizability: 20.378487 Å^3
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%