1,3-dichloro-5-ethyl-5-methylimidazolidine-2,4-dione

• ChemBase ID: 798396
• Molecular Formular: C6H8Cl2N2O2
• Molecular Mass: 211.04592
• Monoisotopic Mass: 209.99628287
• SMILES: N1(C(=O)N(C(=O)C1(C)CC)Cl)Cl
• Canonical SMILES: CC1(CC)N(Cl)C(=O)N(C1=O)Cl
• InChI: InChI=1S/C6H8Cl2N2O2/c1-3-6(2)4(11)9(7)5(12)10(6)8/h3H2,1-2H3
• InChIKey: OFTZZDZZNXTWFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dichloro-5-ethyl-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 1,3-dichloro-5-ethyl-5-methylimidazolidine-2,4-dione
• Synonyms: 1,3-dichloro-5-ethyl-5-methylimidazolidine-2,4-dione

Database IDs

• CAS Number: 89415-87-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5982612
• LogD (pH = 7.4): 1.5982612
• Log P: 1.5982612
• Molar Refractivity: 45.4499 cm^3
• Polarizability: 17.433834 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%